diff --git a/sphinxman/master/_modules/index.html b/sphinxman/master/_modules/index.html
index 6904105e592..40221bf408b 100644
--- a/sphinxman/master/_modules/index.html
+++ b/sphinxman/master/_modules/index.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/aliases.html b/sphinxman/master/_modules/psi4/driver/aliases.html
index 67bd057f565..19ed922ec41 100644
--- a/sphinxman/master/_modules/psi4/driver/aliases.html
+++ b/sphinxman/master/_modules/psi4/driver/aliases.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -385,7 +385,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/diatomic.html b/sphinxman/master/_modules/psi4/driver/diatomic.html
index d5b9a1f07b6..8719a85d65b 100644
--- a/sphinxman/master/_modules/psi4/driver/diatomic.html
+++ b/sphinxman/master/_modules/psi4/driver/diatomic.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -461,7 +461,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/diatomic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -475,7 +475,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver.html b/sphinxman/master/_modules/psi4/driver/driver.html
index b5df9a248c9..012e85187fc 100644
--- a/sphinxman/master/_modules/psi4/driver/driver.html
+++ b/sphinxman/master/_modules/psi4/driver/driver.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2314,7 +2314,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2328,7 +2328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_cbs.html b/sphinxman/master/_modules/psi4/driver/driver_cbs.html
index 16ca19fc879..6e8b51b07a6 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2012,7 +2012,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2026,7 +2026,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html b/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
index da0c681b2d0..92f34992f97 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs_helper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -893,7 +893,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_findif.html b/sphinxman/master/_modules/psi4/driver/driver_findif.html
index ef6585520b6..7f1b72b071a 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_findif.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_findif.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1747,7 +1747,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1761,7 +1761,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0a8f27a459d..aaf67b5387b 100644
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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@@ -992,7 +992,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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@@ -965,7 +965,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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@@ -360,7 +360,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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@@ -673,7 +673,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
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-    <script src="../../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../../_static/documentation_options.js?v=37d5628d"></script>
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@@ -759,7 +759,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../../../../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/task_planner.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -471,7 +471,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/task_planner.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -485,7 +485,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
index f38d2113811..9cc97843062 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/wrapper_database.html b/sphinxman/master/_modules/psi4/driver/wrapper_database.html
index d724d9d0f9d..5614b72427f 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_database.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_database.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -832,7 +832,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/extras.html b/sphinxman/master/_modules/psi4/extras.html
index ecfe000e9e3..f73e70d941e 100644
--- a/sphinxman/master/_modules/psi4/extras.html
+++ b/sphinxman/master/_modules/psi4/extras.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/extras.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -487,7 +487,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/extras.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -501,7 +501,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/qcdb/vib.html b/sphinxman/master/_modules/qcdb/vib.html
index 43d031842e0..09da5683dfd 100644
--- a/sphinxman/master/_modules/qcdb/vib.html
+++ b/sphinxman/master/_modules/qcdb/vib.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1419,7 +1419,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1433,7 +1433,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/qcelemental/testing.html b/sphinxman/master/_modules/qcelemental/testing.html
index 10bd3be6b99..f4ebbff7f39 100644
--- a/sphinxman/master/_modules/qcelemental/testing.html
+++ b/sphinxman/master/_modules/qcelemental/testing.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -776,7 +776,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -790,7 +790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_sources/nbody.rst.txt b/sphinxman/master/_sources/nbody.rst.txt
index 552e3ab9d83..b763071cb36 100644
--- a/sphinxman/master/_sources/nbody.rst.txt
+++ b/sphinxman/master/_sources/nbody.rst.txt
@@ -50,6 +50,10 @@ The nbody function computes counterpoise-corrected (CP), non-CP (noCP), and Vali
 
 **Examples :** ::
 
+    set {
+      basis def2-svp
+    }
+
     # Counterpoise corrected CCSD(T) energies for the Helium dimer
     molecule mol {
       He
diff --git a/sphinxman/master/_static/documentation_options.js b/sphinxman/master/_static/documentation_options.js
index 4629ffaaddb..a75d18b6c8f 100644
--- a/sphinxman/master/_static/documentation_options.js
+++ b/sphinxman/master/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '3e8a827',
+    VERSION: 'ba20dd4',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/sphinxman/master/adc.html b/sphinxman/master/adc.html
index f6ab357aeec..ac229926591 100644
--- a/sphinxman/master/adc.html
+++ b/sphinxman/master/adc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -519,7 +519,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/adcc.html b/sphinxman/master/adcc.html
index 0ec9a0f686a..c0d53673bdb 100644
--- a/sphinxman/master/adcc.html
+++ b/sphinxman/master/adcc.html
@@ -47,7 +47,7 @@
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@@ -393,7 +393,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -892,7 +892,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -302,7 +302,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -312,7 +312,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -634,7 +634,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -285,7 +285,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -403,7 +403,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 56fa414c20e..9a3720560e6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
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@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 464f88e36e1..005f8be25e6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cdd35c217d7..cea827e1535 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -253,7 +253,7 @@ <h3>Navigation</h3>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7f66761e4e6..4835463907c 100644
--- a/sphinxman/master/api/psi4.core.CorrelationFactor.html
+++ b/sphinxman/master/api/psi4.core.CorrelationFactor.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.CorrelationTable.html b/sphinxman/master/api/psi4.core.CorrelationTable.html
index 6a75b69c2be..b212a5e1a44 100644
--- a/sphinxman/master/api/psi4.core.CorrelationTable.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -291,7 +291,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 31df2d2be3e..45bd3147ba5 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5b17b26ffe4..0f2ccee5a20 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 58ae33aaab3..bd949ee59d6 100644
--- a/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
+++ b/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4ca920a59b2..8507952bb98 100644
--- a/sphinxman/master/api/psi4.core.DFHelper.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -452,7 +452,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -466,7 +466,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 907a08aa0e2..7923a2f9d0b 100644
--- a/sphinxman/master/api/psi4.core.DFSOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.DFSOMCSCF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 089ee732ea5..1f919d8946d 100644
--- a/sphinxman/master/api/psi4.core.DFTGrid.html
+++ b/sphinxman/master/api/psi4.core.DFTGrid.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f52a8054822..8dba282aaa1 100644
--- a/sphinxman/master/api/psi4.core.DFTensor.html
+++ b/sphinxman/master/api/psi4.core.DFTensor.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -283,7 +283,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d3db51b2da4..692faa1a1aa 100644
--- a/sphinxman/master/api/psi4.core.DGBMV.html
+++ b/sphinxman/master/api/psi4.core.DGBMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6c7a6a394aa..3d4f37632d8 100644
--- a/sphinxman/master/api/psi4.core.DGEEV.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d980889d398..c797db56aa5 100644
--- a/sphinxman/master/api/psi4.core.DGEMM.html
+++ b/sphinxman/master/api/psi4.core.DGEMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index 64467c708e1..ab419b327f5 100644
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7084442234e..c0be8a077e3 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 61ea18adb1d..37bdefeaccb 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9e1ebddf859..6655568b3a2 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4be91f1bc3a..5d1b26f6402 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 68d93bd0656..378e84004fd 100644
--- a/sphinxman/master/api/psi4.core.DSWAP.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 629f7f510a0..a7f3d9c226f 100644
--- a/sphinxman/master/api/psi4.core.DSYMM.html
+++ b/sphinxman/master/api/psi4.core.DSYMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0c53a7e7436..e40ffe58b71 100644
--- a/sphinxman/master/api/psi4.core.DSYMV.html
+++ b/sphinxman/master/api/psi4.core.DSYMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 25b5e40500e..1abf64ee2f1 100644
--- a/sphinxman/master/api/psi4.core.DSYR.html
+++ b/sphinxman/master/api/psi4.core.DSYR.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6c92e305dc3..1ec73d357bb 100644
--- a/sphinxman/master/api/psi4.core.DSYR2.html
+++ b/sphinxman/master/api/psi4.core.DSYR2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DSYR2K.html b/sphinxman/master/api/psi4.core.DSYR2K.html
index 1ab0418e69a..64b00ef5ed0 100644
--- a/sphinxman/master/api/psi4.core.DSYR2K.html
+++ b/sphinxman/master/api/psi4.core.DSYR2K.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DSYRK.html b/sphinxman/master/api/psi4.core.DSYRK.html
index b9e5c44f2fd..4169138c6b4 100644
--- a/sphinxman/master/api/psi4.core.DSYRK.html
+++ b/sphinxman/master/api/psi4.core.DSYRK.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 30a548d816a..49a07edf0fb 100644
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+++ b/sphinxman/master/api/psi4.core.DTRSM.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 19c2ccfa180..fa1a0432c89 100644
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+++ b/sphinxman/master/api/psi4.core.DTRSV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -265,7 +265,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index bcbbce35fa0..b80114e5725 100644
--- a/sphinxman/master/api/psi4.core.DirectJK.html
+++ b/sphinxman/master/api/psi4.core.DirectJK.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -447,7 +447,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -269,7 +269,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dc6badf4ba7..bff49e07824 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index be16307ef92..a52cc2fd734 100644
--- a/sphinxman/master/api/psi4.core.FCHKWriter.html
+++ b/sphinxman/master/api/psi4.core.FCHKWriter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.FDDS_Dispersion.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -313,7 +313,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 17576fe51f8..e3954aff5fc 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -503,7 +503,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -517,7 +517,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html b/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
index a2ddcc0476f..a1e3bd46149 100644
--- a/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
+++ b/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.FittingMetric.html b/sphinxman/master/api/psi4.core.FittingMetric.html
index 2049b0fe810..25ef2242722 100644
--- a/sphinxman/master/api/psi4.core.FittingMetric.html
+++ b/sphinxman/master/api/psi4.core.FittingMetric.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FittingMetric.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -323,7 +323,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.FittingMetric.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 83cea2124b8..3122bccf1c9 100644
--- a/sphinxman/master/api/psi4.core.FragmentType.html
+++ b/sphinxman/master/api/psi4.core.FragmentType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 355febf5ed3..b359385b9e1 100644
--- a/sphinxman/master/api/psi4.core.Functional.html
+++ b/sphinxman/master/api/psi4.core.Functional.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -473,7 +473,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -487,7 +487,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7d31a8aabf4..26deeb5f433 100644
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+++ b/sphinxman/master/api/psi4.core.GaussianShell.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -359,7 +359,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -373,7 +373,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index eaf8c6ff434..c6c39af0137 100644
--- a/sphinxman/master/api/psi4.core.GaussianType.html
+++ b/sphinxman/master/api/psi4.core.GaussianType.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 28cbfc13c69..88182446653 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e4b83574121..d872c062610 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -990,7 +990,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1004,7 +1004,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 719b2cef662..0f551a5a81b 100644
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+++ b/sphinxman/master/api/psi4.core.IDAMAX.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -406,7 +406,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -527,7 +527,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -615,7 +615,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -581,7 +581,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -291,7 +291,7 @@ <h3>Navigation</h3>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -269,7 +269,7 @@ <h3>Navigation</h3>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 69b6b3462b2..1ec2fe5739b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -326,7 +326,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -340,7 +340,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1131,7 +1131,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1145,7 +1145,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dc4d71395ad..8b7a8cbffd3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 12d693ad378..3639a7c3453 100644
--- a/sphinxman/master/api/psi4.core.MintsHelper.html
+++ b/sphinxman/master/api/psi4.core.MintsHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1103,7 +1103,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1117,7 +1117,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8c5966b0532..d8329c507f8 100644
--- a/sphinxman/master/api/psi4.core.MoldenWriter.html
+++ b/sphinxman/master/api/psi4.core.MoldenWriter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -1796,7 +1796,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7c0b360ec3a..98ed821b3aa 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -378,7 +378,7 @@ <h3>Navigation</h3>
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@@ -392,7 +392,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 113648d0691..78aabcb3479 100644
--- a/sphinxman/master/api/psi4.core.OneBodyAOInt.html
+++ b/sphinxman/master/api/psi4.core.OneBodyAOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.OneBodySOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 47b3863188b..0d848a3cdd5 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -451,7 +451,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -465,7 +465,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9d5145eb007..7494131a8d0 100644
--- a/sphinxman/master/api/psi4.core.OrbitalSpace.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d84b8330e21..9b7caeefda0 100644
--- a/sphinxman/master/api/psi4.core.OverlapInt.html
+++ b/sphinxman/master/api/psi4.core.OverlapInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0e9d8e8396b..9e5917482df 100644
--- a/sphinxman/master/api/psi4.core.PMLocalizer.html
+++ b/sphinxman/master/api/psi4.core.PMLocalizer.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 81d2c405c64..c5cc25de8bf 100644
--- a/sphinxman/master/api/psi4.core.PetiteList.html
+++ b/sphinxman/master/api/psi4.core.PetiteList.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.PointFunctions.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -291,7 +291,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b87c99545ad..f0e46abe57a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d8bbb2654ca..c2ee1bea83b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 86c7c21602e..d9b3f212c10 100644
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+++ b/sphinxman/master/api/psi4.core.ProtoIntVector.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e48dd887af0..dec4a1ffe94 100644
--- a/sphinxman/master/api/psi4.core.ProtoVector.html
+++ b/sphinxman/master/api/psi4.core.ProtoVector.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.RHF.html
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -274,7 +274,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f6acc803afa..bdb93c8203d 100644
--- a/sphinxman/master/api/psi4.core.ROHF.html
+++ b/sphinxman/master/api/psi4.core.ROHF.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -314,7 +314,7 @@ <h3>Navigation</h3>
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@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 80f605d9d24..74471a4b529 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -308,7 +308,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index 7a9e96e8a57..1617b68e8e6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b65de9b4c74..f625576c0bf 100644
--- a/sphinxman/master/api/psi4.core.SOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.SOMCSCF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -398,7 +398,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.SalcComponent.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.ShellInfo.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 657f757a240..a9a5439c712 100644
--- a/sphinxman/master/api/psi4.core.Slice.html
+++ b/sphinxman/master/api/psi4.core.Slice.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b9a9a9ffed7..223aba2e36a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -893,7 +893,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 57ce51f3758..ce90e33650e 100644
--- a/sphinxman/master/api/psi4.core.SymmetryOperation.html
+++ b/sphinxman/master/api/psi4.core.SymmetryOperation.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.SymmetryOperation.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -383,7 +383,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 19073f47978..b215df60958 100644
--- a/sphinxman/master/api/psi4.core.TLaplaceDenominator.html
+++ b/sphinxman/master/api/psi4.core.TLaplaceDenominator.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6fc6b0c0087..805ea24ecd3 100644
--- a/sphinxman/master/api/psi4.core.ThreeCenterOverlapInt.html
+++ b/sphinxman/master/api/psi4.core.ThreeCenterOverlapInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.TracelessQuadrupoleInt.html b/sphinxman/master/api/psi4.core.TracelessQuadrupoleInt.html
index 4664d5072d3..8e11ecb4be3 100644
--- a/sphinxman/master/api/psi4.core.TracelessQuadrupoleInt.html
+++ b/sphinxman/master/api/psi4.core.TracelessQuadrupoleInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.TracelessQuadrupoleInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.TwoBodyAOInt.html b/sphinxman/master/api/psi4.core.TwoBodyAOInt.html
index 552a47f06ff..8f819650172 100644
--- a/sphinxman/master/api/psi4.core.TwoBodyAOInt.html
+++ b/sphinxman/master/api/psi4.core.TwoBodyAOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.TwoBodyAOInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.TwoElectronInt.html b/sphinxman/master/api/psi4.core.TwoElectronInt.html
index e8c0949a7f5..956ba7fdc6c 100644
--- a/sphinxman/master/api/psi4.core.TwoElectronInt.html
+++ b/sphinxman/master/api/psi4.core.TwoElectronInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.TwoElectronInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 885b2950de1..0e3151e6471 100644
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+++ b/sphinxman/master/api/psi4.core.UHF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -274,7 +274,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.UKSFunctions.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 93a061344d9..93d755fb055 100644
--- a/sphinxman/master/api/psi4.core.VBase.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -456,7 +456,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -470,7 +470,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 30e7d3a56b7..aac54dec944 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -672,7 +672,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -686,7 +686,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1d9d0a26156..a11fc68bd08 100644
--- a/sphinxman/master/api/psi4.core.Vector3.html
+++ b/sphinxman/master/api/psi4.core.Vector3.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 917fc224bb4..8eb8934832a 100644
--- a/sphinxman/master/api/psi4.core.Wavefunction.html
+++ b/sphinxman/master/api/psi4.core.Wavefunction.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1646,7 +1646,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1660,7 +1660,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 65385abd4b5..87cc8b29194 100644
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+++ b/sphinxman/master/api/psi4.core.array_variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fbf1dec7b13..df0fe06be57 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3effbd4f86d..7f28eb0346b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.benchmark_blas1.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.benchmark_blas2.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.benchmark_disk.html b/sphinxman/master/api/psi4.core.benchmark_disk.html
index a33351c3dcf..ccd18b45091 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b338989fa80..6a0b19595c9 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8980a10d06c..5f7dd2c611b 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b18c680b1ff..e49119a0e7d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c9a3574bd23..dc724b60dd7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4672fe74b19..042a1a67a89 100644
--- a/sphinxman/master/api/psi4.core.dmrg.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index ca34ce7178c..9b648c27a14 100644
--- a/sphinxman/master/api/psi4.core.doublet.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 65174636d69..50bb915e017 100644
--- a/sphinxman/master/api/psi4.core.dpdbuf4.html
+++ b/sphinxman/master/api/psi4.core.dpdbuf4.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -253,7 +253,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b2c058cc4ba..f822ca3c8b7 100644
--- a/sphinxman/master/api/psi4.core.dpdfile2.html
+++ b/sphinxman/master/api/psi4.core.dpdfile2.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 16f9bb10ab6..5d20b566c8a 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 3cc4621e758..14e8b0472d1 100644
--- a/sphinxman/master/api/psi4.core.fnocc.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4c4f7324461..6e9b510bba7 100644
--- a/sphinxman/master/api/psi4.core.get_local_option.html
+++ b/sphinxman/master/api/psi4.core.get_local_option.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_memory.html
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7146aa3ee48..9c4f5e76be4 100644
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 07e6f9cdfb7..3e2cd65ef01 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.get_output_file.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8b8d6f383c0..3257edc5d69 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index ddf218005db..192fee8d4d5 100644
--- a/sphinxman/master/api/psi4.core.get_variables.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_writer_file_prefix.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ded3632da6b..1a0fe1599c7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f6d8d7caceb..c7ca58753d4 100644
--- a/sphinxman/master/api/psi4.core.initialize.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.mrcc_generate_input.html b/sphinxman/master/api/psi4.core.mrcc_generate_input.html
index ee2862287d8..020b2958dcb 100644
--- a/sphinxman/master/api/psi4.core.mrcc_generate_input.html
+++ b/sphinxman/master/api/psi4.core.mrcc_generate_input.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f42f70a3ef7..0de105a2403 100644
--- a/sphinxman/master/api/psi4.core.plugin_close_all.html
+++ b/sphinxman/master/api/psi4.core.plugin_close_all.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.plugin_close_all.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1440a244f51..14471311091 100644
--- a/sphinxman/master/api/psi4.core.plugin_load.html
+++ b/sphinxman/master/api/psi4.core.plugin_load.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.prepare_options_for_module.html b/sphinxman/master/api/psi4.core.prepare_options_for_module.html
index bcc83018ccc..338a4861d46 100644
--- a/sphinxman/master/api/psi4.core.prepare_options_for_module.html
+++ b/sphinxman/master/api/psi4.core.prepare_options_for_module.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.prepare_options_for_module.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.print_global_options.html b/sphinxman/master/api/psi4.core.print_global_options.html
index 5dd261919bc..3f6d0b7b1a0 100644
--- a/sphinxman/master/api/psi4.core.print_global_options.html
+++ b/sphinxman/master/api/psi4.core.print_global_options.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.print_global_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.print_global_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.print_options.html b/sphinxman/master/api/psi4.core.print_options.html
index 1fa1bfa13a6..002be374ba4 100644
--- a/sphinxman/master/api/psi4.core.print_options.html
+++ b/sphinxman/master/api/psi4.core.print_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.print_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.print_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.print_out.html b/sphinxman/master/api/psi4.core.print_out.html
index f6ee47e4a63..71a77f142eb 100644
--- a/sphinxman/master/api/psi4.core.print_out.html
+++ b/sphinxman/master/api/psi4.core.print_out.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.print_out.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6afb7a83d04..d7a78eafb16 100644
--- a/sphinxman/master/api/psi4.core.print_variables.html
+++ b/sphinxman/master/api/psi4.core.print_variables.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 40a611b0f74..9856d3d193e 100644
--- a/sphinxman/master/api/psi4.core.psi_top_srcdir.html
+++ b/sphinxman/master/api/psi4.core.psi_top_srcdir.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7f0117955f5..eab512f34fb 100644
--- a/sphinxman/master/api/psi4.core.psimrcc.html
+++ b/sphinxman/master/api/psi4.core.psimrcc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 68b65a62a95..442fa15f360 100644
--- a/sphinxman/master/api/psi4.core.psio_entry.html
+++ b/sphinxman/master/api/psi4.core.psio_entry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ca6f4881edb..eb335e89c86 100644
--- a/sphinxman/master/api/psi4.core.reopen_outfile.html
+++ b/sphinxman/master/api/psi4.core.reopen_outfile.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.reopen_outfile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.reopen_outfile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b6c0091de0d..ce681779772 100644
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+++ b/sphinxman/master/api/psi4.core.revoke_global_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.revoke_global_option_changed.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.revoke_local_option_changed.html b/sphinxman/master/api/psi4.core.revoke_local_option_changed.html
index d3b9156f6b2..04e10c325d7 100644
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+++ b/sphinxman/master/api/psi4.core.revoke_local_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index acb6f467b0f..89faa60b290 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6b625c62ffa..e0c8922e88f 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e0d9ca0f135..e0d8a86b8ad 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.set_num_threads.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.set_output_file.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.set_psi_file_prefix.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.set_scalar_variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.set_variable.html b/sphinxman/master/api/psi4.core.set_variable.html
index 4746f8a5031..dd40009dfbc 100644
--- a/sphinxman/master/api/psi4.core.set_variable.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.set_variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.test_matrix_dpd_interface.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8adf45c22c5..74da4ebfbfe 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c7422b56594..e4ca553688a 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ae4c4833283..e44d625388b 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -595,7 +595,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -483,7 +483,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 82ac5b8ea1d..943248d57ab 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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--- a/sphinxman/master/api/psi4.driver.MissingMethodError.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.OptimizationConvergenceError.html
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bf564245d4e..acdf513a144 100644
--- a/sphinxman/master/api/psi4.driver.PsiException.html
+++ b/sphinxman/master/api/psi4.driver.PsiException.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8d4d59984d2..a74f732dba4 100644
--- a/sphinxman/master/api/psi4.driver.QMMM.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -271,7 +271,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1bde55d94a0..80e4400b277 100644
--- a/sphinxman/master/api/psi4.driver.TDSCFConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.TDSCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -265,7 +265,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3834c415bc1..9118281eaff 100644
--- a/sphinxman/master/api/psi4.driver.TestComparisonError.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 984ab0f87e1..81dbecfdb25 100644
--- a/sphinxman/master/api/psi4.driver.UpgradeHelper.html
+++ b/sphinxman/master/api/psi4.driver.UpgradeHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index fd83b3e4a04..bda0a346d8e 100644
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+++ b/sphinxman/master/api/psi4.driver.ValidationError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.activate.html b/sphinxman/master/api/psi4.driver.activate.html
index 707f6884280..873c3f97a62 100644
--- a/sphinxman/master/api/psi4.driver.activate.html
+++ b/sphinxman/master/api/psi4.driver.activate.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index 2c86ea7468b..b4ab04c6c52 100644
--- a/sphinxman/master/api/psi4.driver.banner.html
+++ b/sphinxman/master/api/psi4.driver.banner.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d7dde0d32d4..2e77927cedb 100644
--- a/sphinxman/master/api/psi4.driver.basis_helper.html
+++ b/sphinxman/master/api/psi4.driver.basis_helper.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 79828969df4..fd11afbb925 100644
--- a/sphinxman/master/api/psi4.driver.cbs.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 397d42196db..977a47052a8 100644
--- a/sphinxman/master/api/psi4.driver.compare_fcidumps.html
+++ b/sphinxman/master/api/psi4.driver.compare_fcidumps.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0daf841d54b..1c0bb773b2b 100644
--- a/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index df0702d841c..2a3261e7b3d 100644
--- a/sphinxman/master/api/psi4.driver.copy_file_from_scratch.html
+++ b/sphinxman/master/api/psi4.driver.copy_file_from_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html b/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
index b52b9708032..e2288e62f18 100644
--- a/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
+++ b/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1843907fc3e..c9e4ce99980 100644
--- a/sphinxman/master/api/psi4.driver.create_plugin.html
+++ b/sphinxman/master/api/psi4.driver.create_plugin.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.cubeprop.html b/sphinxman/master/api/psi4.driver.cubeprop.html
index 4323cf5db14..2597aa0df64 100644
--- a/sphinxman/master/api/psi4.driver.cubeprop.html
+++ b/sphinxman/master/api/psi4.driver.cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 76034f04c43..6a0e041acf3 100644
--- a/sphinxman/master/api/psi4.driver.docs_table_link.html
+++ b/sphinxman/master/api/psi4.driver.docs_table_link.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.docs_table_link.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.docs_table_link.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html b/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
index 2fe5c5d4a94..aa40b22d559 100644
--- a/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
+++ b/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.dynamic_variable_bind.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.dynamic_variable_bind.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.energies_from_fcidump.html b/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
index 9ceab46e0f4..7358c0c0b49 100644
--- a/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
+++ b/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -2768,7 +2768,7 @@ <h3>Navigation</h3>
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@@ -2782,7 +2782,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.fchk.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.fcidump_from_file.html
+++ b/sphinxman/master/api/psi4.driver.fcidump_from_file.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/api/psi4.driver.find_approximate_string_matches.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.driver.freq.html
+++ b/sphinxman/master/api/psi4.driver.freq.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0f0751472e6..74b3658a0ff 100644
--- a/sphinxman/master/api/psi4.driver.frequencies.html
+++ b/sphinxman/master/api/psi4.driver.frequencies.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.frequencies.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 923b97433c2..8501d383e8a 100644
--- a/sphinxman/master/api/psi4.driver.frequency.html
+++ b/sphinxman/master/api/psi4.driver.frequency.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0802a9ac049..899327fa1cb 100644
--- a/sphinxman/master/api/psi4.driver.gdma.html
+++ b/sphinxman/master/api/psi4.driver.gdma.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c7b47f90b6d..8e861a33576 100644
--- a/sphinxman/master/api/psi4.driver.geometry.html
+++ b/sphinxman/master/api/psi4.driver.geometry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/api/psi4.driver.get_memory.html b/sphinxman/master/api/psi4.driver.get_memory.html
index 6e0b07cd951..70205839422 100644
--- a/sphinxman/master/api/psi4.driver.get_memory.html
+++ b/sphinxman/master/api/psi4.driver.get_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.gradient.html b/sphinxman/master/api/psi4.driver.gradient.html
index f93e0a94574..be914ed431d 100644
--- a/sphinxman/master/api/psi4.driver.gradient.html
+++ b/sphinxman/master/api/psi4.driver.gradient.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.gradient.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.gradient.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.hessian.html b/sphinxman/master/api/psi4.driver.hessian.html
index 5ddc6bfb6eb..5ab6b09cc91 100644
--- a/sphinxman/master/api/psi4.driver.hessian.html
+++ b/sphinxman/master/api/psi4.driver.hessian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.hessian.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.hessian.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ac72874321d..79d51acc7f7 100644
--- a/sphinxman/master/api/psi4.driver.ipi_broker.html
+++ b/sphinxman/master/api/psi4.driver.ipi_broker.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index efa7e26fcf2..18e0a797e41 100644
--- a/sphinxman/master/api/psi4.driver.levenshtein.html
+++ b/sphinxman/master/api/psi4.driver.levenshtein.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6619d76be5b..65128c9a721 100644
--- a/sphinxman/master/api/psi4.driver.libint2_configuration.html
+++ b/sphinxman/master/api/psi4.driver.libint2_configuration.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f0502cf2459..ad59889e32d 100644
--- a/sphinxman/master/api/psi4.driver.libint2_print_out.html
+++ b/sphinxman/master/api/psi4.driver.libint2_print_out.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 1967a894a4d..da754277c00 100644
--- a/sphinxman/master/api/psi4.driver.mdi_run.html
+++ b/sphinxman/master/api/psi4.driver.mdi_run.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0c8945c47a8..cda64555e2d 100644
--- a/sphinxman/master/api/psi4.driver.message_box.html
+++ b/sphinxman/master/api/psi4.driver.message_box.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.molden.html b/sphinxman/master/api/psi4.driver.molden.html
index 3f0478c65be..e97d90d686e 100644
--- a/sphinxman/master/api/psi4.driver.molden.html
+++ b/sphinxman/master/api/psi4.driver.molden.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.DIIS.html
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -276,7 +276,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -512,7 +512,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -286,7 +286,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5e7225d6c7a..534ede4dad3 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionsState.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5f9ba45cffd..95e7d846c06 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 65904345285..a013b9eda9b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
+++ b/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 51288d76641..960580012a8 100644
--- a/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html b/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
index ec6f456e95b..9e142905418 100644
--- a/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
+++ b/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html b/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
index cf72bf9a38f..84b9fbe935b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
+++ b/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html b/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
index 83a0ec6db1c..574f4ae65f8 100644
--- a/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
+++ b/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html b/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
index c32037bd6c0..a678d623b48 100644
--- a/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
+++ b/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.expand_psivars.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.fcidump.html
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f067e21a50f..bce36e6a1ee 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3a0a255c958..9e6d7246021 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8e8d5d12177..053340df4c1 100644
--- a/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 2dcbdf434b3..2457e8b7211 100644
--- a/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.get_memory.html b/sphinxman/master/api/psi4.driver.p4util.get_memory.html
index de11a37a150..b6847de201d 100644
--- a/sphinxman/master/api/psi4.driver.p4util.get_memory.html
+++ b/sphinxman/master/api/psi4.driver.p4util.get_memory.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.get_psifile.html b/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
index 9f398ed1866..01017bad3cd 100644
--- a/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
+++ b/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -124,7 +124,7 @@ <h3>Navigation</h3>
 <h1>get_psifile<a class="headerlink" href="#get-psifile" title="Link to this heading">¶</a></h1>
 <dl class="py function">
 <dt class="sig sig-object py" id="psi4.driver.p4util.get_psifile">
-<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11609'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
+<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11530'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
 <dd><p>Form full path and filename for psi scratch file.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html b/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
index 31322bd057f..e3d9edf0ee3 100644
--- a/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
+++ b/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html b/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
index d9a4ebd8e9b..7518d118df9 100644
--- a/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hamiltonian_solver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -270,7 +270,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hamiltonian_solver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -284,7 +284,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html b/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
index 9d002563abf..389fb2eb5ae 100644
--- a/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
+++ b/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hold_options_state.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hold_options_state.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html b/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
index bdd60448f38..1d924211a54 100644
--- a/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
+++ b/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.import_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.import_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
+++ b/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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index 04d1e82ec2e..a861c27d0de 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -224,7 +224,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bd0d8f60335..0dc11b5acfd 100644
--- a/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
+++ b/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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index 0779da43841..825c2591253 100644
--- a/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
+++ b/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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index a502600a1b9..90290e9ca17 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html b/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
index 084d19df234..a715aad4358 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
index e20a6080937..176f368ca2b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.prepare_options_for_modules.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html
index bf4e8c33269..f4e6d8eb1ae 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.prepare_options_for_set_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index 796f9599efb..c7643ccc21e 100644
--- a/sphinxman/master/api/psi4.driver.p4util.provenance_stamp.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f7d4632879f..08da6ff1191 100644
--- a/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
+++ b/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.set_memory.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -258,7 +258,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1d7cde5c91c..777bdf75b63 100644
--- a/sphinxman/master/api/psi4.driver.p4util.set_module_options.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.driver.p4util.set_options.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.driver.p4util.spectrum.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
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@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 15db381541d..0a97967f184 100644
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+++ b/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5f328f07de0..9d8945bba25 100644
--- a/sphinxman/master/api/psi4.driver.pcm_helper.html
+++ b/sphinxman/master/api/psi4.driver.pcm_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 980f291f0aa..a4aca134878 100644
--- a/sphinxman/master/api/psi4.driver.process_input.html
+++ b/sphinxman/master/api/psi4.driver.process_input.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2ea54631f90..5eb242e5b5b 100644
--- a/sphinxman/master/api/psi4.driver.prop.html
+++ b/sphinxman/master/api/psi4.driver.prop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7faa28e5ea0..bfdace79dc4 100644
--- a/sphinxman/master/api/psi4.driver.properties.html
+++ b/sphinxman/master/api/psi4.driver.properties.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 36375370d2f..c0a20b24f77 100644
--- a/sphinxman/master/api/psi4.driver.qcdb.vib.compare_vibinfos.html
+++ b/sphinxman/master/api/psi4.driver.qcdb.vib.compare_vibinfos.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.qcdb.vib.filter_nonvib.html b/sphinxman/master/api/psi4.driver.qcdb.vib.filter_nonvib.html
index 367decd7093..4eab1f1ad37 100644
--- a/sphinxman/master/api/psi4.driver.qcdb.vib.filter_nonvib.html
+++ b/sphinxman/master/api/psi4.driver.qcdb.vib.filter_nonvib.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -332,7 +332,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -248,7 +248,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 536f8c2a153..9c440a0c401 100644
--- a/sphinxman/master/api/psi4.driver.sanitize_method.html
+++ b/sphinxman/master/api/psi4.driver.sanitize_method.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.sanitize_name.html
+++ b/sphinxman/master/api/psi4.driver.sanitize_name.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 882f6d96fb2..f05335292e1 100644
--- a/sphinxman/master/api/psi4.driver.scf_helper.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 422f301dfd8..d1a1d297ff4 100644
--- a/sphinxman/master/api/psi4.driver.scf_wavefunction_factory.html
+++ b/sphinxman/master/api/psi4.driver.scf_wavefunction_factory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 48de2b90343..b57fce98561 100644
--- a/sphinxman/master/api/psi4.driver.set_memory.html
+++ b/sphinxman/master/api/psi4.driver.set_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.set_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c87856743b9..091c0387b24 100644
--- a/sphinxman/master/api/psi4.driver.set_module_options.html
+++ b/sphinxman/master/api/psi4.driver.set_module_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.set_module_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.set_module_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.set_options.html b/sphinxman/master/api/psi4.driver.set_options.html
index 0a8233adb1e..e50341eaaf0 100644
--- a/sphinxman/master/api/psi4.driver.set_options.html
+++ b/sphinxman/master/api/psi4.driver.set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.vibanal_wfn.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b96abd14a9b..55435adc7cf 100644
--- a/sphinxman/master/appendices.html
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@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6d5117e174a..404cf1972e1 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fa5db226a7e..22920f4fe0e 100644
--- a/sphinxman/master/autodir_options_c/cceom__collapse_with_last.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index dd4140a27b3..72bcd47ac24 100644
--- a/sphinxman/master/autodir_options_c/cceom__eom_guess.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cchbar__cachelevel.html
+++ b/sphinxman/master/autodir_options_c/cchbar__cachelevel.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cchbar__eom_reference.html
+++ b/sphinxman/master/autodir_options_c/cchbar__eom_reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/cchbar__wfn.html b/sphinxman/master/autodir_options_c/cchbar__wfn.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cclambda__abcd.html b/sphinxman/master/autodir_options_c/cclambda__abcd.html
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+++ b/sphinxman/master/autodir_options_c/cclambda__abcd.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cctransort__cachelevel.html
+++ b/sphinxman/master/autodir_options_c/cctransort__cachelevel.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2890d9deaed..baddf6ca90c 100644
--- a/sphinxman/master/autodir_options_c/cctransort__delete_tei.html
+++ b/sphinxman/master/autodir_options_c/cctransort__delete_tei.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/cctransort__reference.html
+++ b/sphinxman/master/autodir_options_c/cctransort__reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/cctransort__run_cctransort.html b/sphinxman/master/autodir_options_c/cctransort__run_cctransort.html
index 45e09aef295..36c2a383c7d 100644
--- a/sphinxman/master/autodir_options_c/cctransort__run_cctransort.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/cctransort__semicanonical.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/cctransort__wfn.html
+++ b/sphinxman/master/autodir_options_c/cctransort__wfn.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 15fea319b06..f72fe8ac07e 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_deriv_level.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9eb1672d12a..3f10f7fc0c7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index bdf8ba08b05..139a6853975 100644
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e546d5d2fbb..1ace3d9e16d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9d89dcb8480..c09701adcdf 100644
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8bfddbf4929..a1fb864beca 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 95d329575ad..d06335b7ab3 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_subgroup.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/cphf__debug.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f9539bd971a..f2c95121f0b 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_logfile.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ab6601cb23b..3059de8a743 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/ddx__ddx_radii_scaling.html b/sphinxman/master/autodir_options_c/ddx__ddx_radii_scaling.html
index 7a689842304..5497feb2a96 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/ddx__ddx_radii_set.html b/sphinxman/master/autodir_options_c/ddx__ddx_radii_set.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ea2e939c38d..e24a8cbe4eb 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/detci__cc_macro.html
+++ b/sphinxman/master/autodir_options_c/detci__cc_macro.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cce6540c647..ffb86aca6ab 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mo_step_max.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mo_step_max.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f5675cee25a..ad7f8399ed0 100644
--- a/sphinxman/master/autodir_options_c/dfocc__molden_write.html
+++ b/sphinxman/master/autodir_options_c/dfocc__molden_write.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1d562a902c5..813ba33a3dd 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_amp_type.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mp2_amp_type.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 447f5b5db15..577908ec1f6 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html
index dce692de4a8..344d8c8debf 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dfocc__mp2_sos_scale.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dfocc__mp2_sos_scale.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html
index f94bdc25656..98f57e6df71 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dfocc__mp2_sos_scale2.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dfocc__mp2_sos_scale2.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_ss_scale.html b/sphinxman/master/autodir_options_c/dfocc__mp2_ss_scale.html
index 4c011a316f4..cde3401201f 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_ss_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f8e542f8213..843f202427b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2bc230acd78..383c4e30d3d 100644
--- a/sphinxman/master/autodir_options_c/dmrg__dmrg_excitation.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ddddd4b74e8..ee11c813d4b 100644
--- a/sphinxman/master/autodir_options_c/dmrg__dmrg_irrep.html
+++ b/sphinxman/master/autodir_options_c/dmrg__dmrg_irrep.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d15fd6a6b60..f3a370d45e2 100644
--- a/sphinxman/master/autodir_options_c/dmrg__dmrg_local_init.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dmrg__dmrg_local_init.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dmrg__dmrg_local_init.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index fde4e188476..8b3531ed3ff 100644
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+++ b/sphinxman/master/autodir_options_c/dmrg__dmrg_molden_write.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dmrg__dmrg_molden_write.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dmrg__dmrg_molden_write.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/dmrg__dmrg_mps_write.html b/sphinxman/master/autodir_options_c/dmrg__dmrg_mps_write.html
index e4a8650c9be..810f3c867e2 100644
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+++ b/sphinxman/master/autodir_options_c/dmrg__dmrg_mps_write.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ad5e323421e..c127391cd20 100644
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+++ b/sphinxman/master/autodir_options_c/efp__efp_exch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/efp__efp_ind.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index bef7ac777be..ebc9d7d2339 100644
--- a/sphinxman/master/autodir_options_c/efp__efp_qm_elst.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 99c2a12b39b..7c0cec5c00b 100644
--- a/sphinxman/master/autodir_options_c/efp__efp_qm_ind.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/efp__efp_qm_ind.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a8823c678f8..4c6b6cdd5c4 100644
--- a/sphinxman/master/autodir_options_c/efp__print.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 13b10416256..7d284b301d6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c6d3a0c8c8f..3f3a1beadf3 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cc_scale_ss.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/fnocc__cc_timings.html
+++ b/sphinxman/master/autodir_options_c/fnocc__cc_timings.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__cepa_no_singles.html b/sphinxman/master/autodir_options_c/fnocc__cepa_no_singles.html
index 58bcfa8e044..d846ddb88a7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0c61cebec68..86dbaec3b20 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cholesky_tolerance.html
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@@ -47,7 +47,7 @@
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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--- a/sphinxman/master/autodir_options_c/globals__socc.html
+++ b/sphinxman/master/autodir_options_c/globals__socc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/globals__wfn.html
+++ b/sphinxman/master/autodir_options_c/globals__wfn.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/globals__writer_file_label.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index fcb93d6d353..f6855c4b51a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f9fabf28937..93ac2b9bb2f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 88f18fcf797..622f87d80a6 100644
--- a/sphinxman/master/autodir_options_c/mcscf__ci_diis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ab173c852bc..b4a3b79735d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 50f418fac28..581641840e4 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3298b91c6a6..84d2817f81b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -289,7 +289,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cab3c8d0ed4..23f21b53e5f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/occ__cepa_ss_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b0ccdfe8dee..6ed27578f40 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/occ__diis_min_vecs.html b/sphinxman/master/autodir_options_c/occ__diis_min_vecs.html
index 5d6737978f3..e29ebe8d86c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/occ__ekt_ip.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index 86f2b0fd23a..8fd87a0a9b4 100644
--- a/sphinxman/master/autodir_options_c/occ__mograd_damping.html
+++ b/sphinxman/master/autodir_options_c/occ__mograd_damping.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 51d2b56c177..493dee66d80 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ac22c868a41..f03f39e18da 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e3cb0dc6188..08803d6260d 100644
--- a/sphinxman/master/autodir_options_c/occ__nat_orbs.html
+++ b/sphinxman/master/autodir_options_c/occ__nat_orbs.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 90a5316a23e..fa9121265ea 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 16dd68d075f..f9cffb4f1ef 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__heff_print.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__heff_print.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ff178c4b5d4..8742cc45cdb 100644
--- a/sphinxman/master/autodir_options_c/psimrcc__lock_singlet.html
+++ b/sphinxman/master/autodir_options_c/psimrcc__lock_singlet.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__lock_singlet.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__lock_singlet.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3b3f77f64f9..028e4a36d9e 100644
--- a/sphinxman/master/autodir_options_c/psimrcc__maxiter.html
+++ b/sphinxman/master/autodir_options_c/psimrcc__maxiter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0e3c4d642e7..19edc7cf79e 100644
--- a/sphinxman/master/autodir_options_c/psimrcc__mp2_ccsd_method.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__mp2_ccsd_method.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/autodir_options_c/psimrcc__mp2_guess.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__mp2_guess.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 02eaa1088b8..006e2786567 100644
--- a/sphinxman/master/autodir_options_c/psimrcc__no_singles.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__no_singles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/psimrcc__no_singles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 811895bb35a..759b4504077 100644
--- a/sphinxman/master/autodir_options_c/psimrcc__offdiagonal_ccsd_t.html
+++ b/sphinxman/master/autodir_options_c/psimrcc__offdiagonal_ccsd_t.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 72307062360..13b9366ae35 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 51eb43ed7cf..da977ac1fb5 100644
--- a/sphinxman/master/autodir_options_c/sapt__freeze_core.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6a88ec57629..d735e73017a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__max_ccd_diisvecs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__max_ccd_diisvecs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/sapt__maxiter.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f45e2b2ff1f..592bcd9d7a8 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5b55bfe336a..ac7db3b275f 100644
--- a/sphinxman/master/autodir_options_c/scf__df_metric.html
+++ b/sphinxman/master/autodir_options_c/scf__df_metric.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 35f26cd0421..307e152ad34 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e6696ffd0cf..0c2409d6232 100644
--- a/sphinxman/master/autodir_options_c/scf__df_theta.html
+++ b/sphinxman/master/autodir_options_c/scf__df_theta.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_alpha.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0b382bf7626..1f927193af5 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_alpha_c.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_alpha_c.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_basis_tolerance.html b/sphinxman/master/autodir_options_c/scf__dft_basis_tolerance.html
index 192617452a3..35cee180f3a 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_basis_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6d7b6707f80..4ebda58907b 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_max_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f2cb708b75f..023a8f4a6d3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_block_max_radius.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index da5279e8caa..0943a145b82 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_min_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 90519795c50..5029ba9076e 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_scheme.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__dft_bs_radius_alpha.html b/sphinxman/master/autodir_options_c/scf__dft_bs_radius_alpha.html
index 4cd85c41ab8..53fa861331c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_bs_radius_alpha.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_bs_radius_alpha.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html b/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
index 8c0e92cd096..2373ee1886f 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_density_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_density_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html b/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html
index 366691092a8..0aaadb4cca4 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_dispersion_parameters.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_dispersion_parameters.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 04aa282ab87..dcbb0c4a6c6 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_nuclear_scheme.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_nuclear_scheme.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_omega.html b/sphinxman/master/autodir_options_c/scf__dft_omega.html
index 60c1c34f0a1..ad460b71771 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_omega.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_omega.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_omega_c.html b/sphinxman/master/autodir_options_c/scf__dft_omega_c.html
index ed2b94c8c39..aaffc3ba840 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_omega_c.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_pruning_alpha.html b/sphinxman/master/autodir_options_c/scf__dft_pruning_alpha.html
index 038cef17e9f..5960748b9bd 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_pruning_alpha.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_pruning_scheme.html b/sphinxman/master/autodir_options_c/scf__dft_pruning_scheme.html
index 79ae41a379d..844db97b244 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_radial_points.html b/sphinxman/master/autodir_options_c/scf__dft_radial_points.html
index 107bec35628..5509e709ff7 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_radial_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_radial_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_radial_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_radial_scheme.html b/sphinxman/master/autodir_options_c/scf__dft_radial_scheme.html
index 4faba13f3fa..a5142aea8cb 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_radial_scheme.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_radial_scheme.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 106dbc43ee2..4fec67465e1 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8eaff8e7b5f..93e4ee076c7 100644
--- a/sphinxman/master/autodir_options_c/scf__follow_step_increment.html
+++ b/sphinxman/master/autodir_options_c/scf__follow_step_increment.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/scf__frac_diis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/scf__frac_load.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__frac_occ.html b/sphinxman/master/autodir_options_c/scf__frac_occ.html
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+++ b/sphinxman/master/autodir_options_c/scf__frac_occ.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index 51a129de74e..1fc6eb9198e 100644
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 64debb9c64f..d439837eeac 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/scf__local_convergence.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__local_maxiter.html
+++ b/sphinxman/master/autodir_options_c/scf__local_maxiter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/scf__maxiter.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/scf__molden_write.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__reference.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c7c3cf5a71c..27f9c9f40cf 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 2cc768e393c..b7d08fbd9b9 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__sad_chol_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__sad_d_convergence.html b/sphinxman/master/autodir_options_c/scf__sad_d_convergence.html
index 53ac56f008d..3a6bdb8cdb3 100644
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+++ b/sphinxman/master/autodir_options_c/scf__sad_d_convergence.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 52da058933e..5edb6698004 100644
--- a/sphinxman/master/autodir_options_c/scf__sapgau_basis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__sapt.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__save_jk.html
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/scf__save_uhf_nos.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 3ecb57ab5bb..6b9162e6f3d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html b/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html
index 28f11142baa..98ad681ab73 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 77dc4dee1a0..c84360338d8 100644
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+++ b/sphinxman/master/autodir_options_c/scf__scf_initial_start_diis_transition.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__solver_n_guess.html b/sphinxman/master/autodir_options_c/scf__solver_n_guess.html
index 397725ccdb9..fe8a2fe5a0f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_n_guess.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -321,7 +321,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -211,7 +211,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -261,7 +261,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -195,7 +195,7 @@ <h3>Navigation</h3>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_psivariables/module__pe.html
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -195,7 +195,7 @@ <h3>Navigation</h3>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -313,7 +313,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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@@ -258,7 +258,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=5486f281"></script>
+    <script src="../_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -201,7 +201,7 @@ <h3>Navigation</h3>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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index ac0c886217a..3f3b69bbeb0 100644
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -886,7 +886,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -202,7 +202,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -2225,7 +2225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -6017,7 +6017,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -869,7 +869,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -3605,7 +3605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -2161,7 +2161,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -1565,7 +1565,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -4960,7 +4960,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cbce94bb8a5..a296fc2b69c 100644
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -1028,7 +1028,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/cfour.html
+++ b/sphinxman/master/cfour.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -1154,7 +1154,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/cfour_table_energy.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9bf98832d86..004d79947f9 100644
--- a/sphinxman/master/chemps2.html
+++ b/sphinxman/master/chemps2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -655,7 +655,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bf9eb5e5b84..2afed2ed0bb 100644
--- a/sphinxman/master/code_style.html
+++ b/sphinxman/master/code_style.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c0176bf36ee..6ab233f44a9 100644
--- a/sphinxman/master/conda.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -665,7 +665,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f747baa5dbe..4e8d83358e5 100644
--- a/sphinxman/master/cppe.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -487,7 +487,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/cubeprop.html b/sphinxman/master/cubeprop.html
index 3347580bb15..0f1676220bf 100644
--- a/sphinxman/master/cubeprop.html
+++ b/sphinxman/master/cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -545,7 +545,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/customizing.html b/sphinxman/master/customizing.html
index b9a6b190fbc..d2425d034bd 100644
--- a/sphinxman/master/customizing.html
+++ b/sphinxman/master/customizing.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5033afa9e00..c893f43d67c 100644
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+++ b/sphinxman/master/db.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -1180,7 +1180,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index eb7d49fc9ba..e8962bc4e4b 100644
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -533,7 +533,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c9d6d500599..e918c9f3fd3 100644
--- a/sphinxman/master/ddx.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -688,7 +688,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9a31ae88f43..a447a0b71ef 100644
--- a/sphinxman/master/detci.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -622,7 +622,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7ea0bf79cb4..d4141b87c15 100644
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -543,7 +543,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 078dab28b0c..8cb211781d4 100644
--- a/sphinxman/master/dft.html
+++ b/sphinxman/master/dft.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 90398e8504e..57baa0df581 100644
--- a/sphinxman/master/dft_byfunctional.html
+++ b/sphinxman/master/dft_byfunctional.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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@@ -17790,7 +17790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 39b3e38f66e..08d9fb2fd1b 100644
--- a/sphinxman/master/dftd3.html
+++ b/sphinxman/master/dftd3.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -972,7 +972,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c9e870b680e..5951d4f5eba 100644
--- a/sphinxman/master/dftnl.html
+++ b/sphinxman/master/dftnl.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ca14808347a..22476745f2d 100644
--- a/sphinxman/master/diatomic.html
+++ b/sphinxman/master/diatomic.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/dkh.html b/sphinxman/master/dkh.html
index a7f9a667e2f..1412a75980f 100644
--- a/sphinxman/master/dkh.html
+++ b/sphinxman/master/dkh.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -349,7 +349,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -363,7 +363,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 86b5116c5b5..ebcd2b73d24 100644
--- a/sphinxman/master/dlpnomp2.html
+++ b/sphinxman/master/dlpnomp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -344,7 +344,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -358,7 +358,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/documentation.html b/sphinxman/master/documentation.html
index 89c399dfa6d..dbfe0561e5c 100644
--- a/sphinxman/master/documentation.html
+++ b/sphinxman/master/documentation.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -361,7 +361,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/ecpint.html b/sphinxman/master/ecpint.html
index 539a6aae9fd..ff888da377e 100644
--- a/sphinxman/master/ecpint.html
+++ b/sphinxman/master/ecpint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -290,7 +290,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1a3ee9e3a9c..535245cbb0d 100644
--- a/sphinxman/master/energy.html
+++ b/sphinxman/master/energy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -2779,7 +2779,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 696cf5042d1..72bdfe052f2 100644
--- a/sphinxman/master/external.html
+++ b/sphinxman/master/external.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -948,7 +948,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/external_apis.html b/sphinxman/master/external_apis.html
index f5ac4714450..3e866b73980 100644
--- a/sphinxman/master/external_apis.html
+++ b/sphinxman/master/external_apis.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -490,7 +490,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/fchk.html b/sphinxman/master/fchk.html
index 311d4a60588..829a9f87fd6 100644
--- a/sphinxman/master/fchk.html
+++ b/sphinxman/master/fchk.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 73099886acc..adc182e23d8 100644
--- a/sphinxman/master/fisapt.html
+++ b/sphinxman/master/fisapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -640,7 +640,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/fnocc.html b/sphinxman/master/fnocc.html
index 5c65e85ba25..3dc961ab8ca 100644
--- a/sphinxman/master/fnocc.html
+++ b/sphinxman/master/fnocc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1316,7 +1316,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/freq.html b/sphinxman/master/freq.html
index a0f9a32d312..1df989296cb 100644
--- a/sphinxman/master/freq.html
+++ b/sphinxman/master/freq.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -749,7 +749,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -296,7 +296,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/index.html b/sphinxman/master/index.html
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+++ b/sphinxman/master/index.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 29e03821f25..7ceab37cca5 100644
--- a/sphinxman/master/intercalls.html
+++ b/sphinxman/master/intercalls.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -280,7 +280,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/interfacing.html b/sphinxman/master/interfacing.html
index 394b0739c79..431f30f7f08 100644
--- a/sphinxman/master/interfacing.html
+++ b/sphinxman/master/interfacing.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -361,7 +361,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/introduction.html b/sphinxman/master/introduction.html
index b3ca26fe37e..0490bd8d0a7 100644
--- a/sphinxman/master/introduction.html
+++ b/sphinxman/master/introduction.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2877,7 +2877,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/libefp.html b/sphinxman/master/libefp.html
index 0dd832cecee..1adc2a53362 100644
--- a/sphinxman/master/libefp.html
+++ b/sphinxman/master/libefp.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -491,7 +491,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/libint.html b/sphinxman/master/libint.html
index 9133ccdd009..86ee802e701 100644
--- a/sphinxman/master/libint.html
+++ b/sphinxman/master/libint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -314,7 +314,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/libxc.html b/sphinxman/master/libxc.html
index d36e7d97472..49cfd3feb86 100644
--- a/sphinxman/master/libxc.html
+++ b/sphinxman/master/libxc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -284,7 +284,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -298,7 +298,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/manage_addon.html b/sphinxman/master/manage_addon.html
index be5b45f5637..32246636682 100644
--- a/sphinxman/master/manage_addon.html
+++ b/sphinxman/master/manage_addon.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -468,7 +468,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -482,7 +482,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index aafcc95b857..97244e8f0d5 100644
--- a/sphinxman/master/manage_git.html
+++ b/sphinxman/master/manage_git.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -524,7 +524,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -538,7 +538,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ca4817da9b8..abf81189a23 100644
--- a/sphinxman/master/manage_index.html
+++ b/sphinxman/master/manage_index.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 10de912ffc1..56749e3bcdc 100644
--- a/sphinxman/master/manage_release.html
+++ b/sphinxman/master/manage_release.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -866,7 +866,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 154640bd096..4ed2c5f7300 100644
--- a/sphinxman/master/mcscf.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/methods.html b/sphinxman/master/methods.html
index 97bb9914d97..b903a6dcbc1 100644
--- a/sphinxman/master/methods.html
+++ b/sphinxman/master/methods.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -386,7 +386,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/molden.html b/sphinxman/master/molden.html
index 9417c3f4763..6ded23c20c0 100644
--- a/sphinxman/master/molden.html
+++ b/sphinxman/master/molden.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -324,7 +324,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -338,7 +338,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/mrcc.html b/sphinxman/master/mrcc.html
index 6e05b39a1ba..4d02bb05135 100644
--- a/sphinxman/master/mrcc.html
+++ b/sphinxman/master/mrcc.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -422,7 +422,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -436,7 +436,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/mrcc_table_energy.html b/sphinxman/master/mrcc_table_energy.html
index ecb4488ecc7..7c9c5edf9d8 100644
--- a/sphinxman/master/mrcc_table_energy.html
+++ b/sphinxman/master/mrcc_table_energy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -289,7 +289,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -303,7 +303,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/nbody.html b/sphinxman/master/nbody.html
index af90c9896a1..091b9dbcad5 100644
--- a/sphinxman/master/nbody.html
+++ b/sphinxman/master/nbody.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -179,7 +179,11 @@ <h3>Navigation</h3>
 
 <p>The nbody function computes counterpoise-corrected (CP), non-CP (noCP), and Valiron-Mayer Function Counterpoise (VMFC) interaction energies for complexes composed of arbitrary numbers of monomers.</p>
 <p><strong>Examples :</strong></p>
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="c1"># Counterpoise corrected CCSD(T) energies for the Helium dimer</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="nb">set</span> <span class="p">{</span>
+  <span class="n">basis</span> <span class="n">def2</span><span class="o">-</span><span class="n">svp</span>
+<span class="p">}</span>
+
+<span class="c1"># Counterpoise corrected CCSD(T) energies for the Helium dimer</span>
 <span class="n">molecule</span> <span class="n">mol</span> <span class="p">{</span>
   <span class="n">He</span>
   <span class="o">--</span>
@@ -1649,7 +1653,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1663,7 +1667,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index fb5b71fc237..98cfcd39eaa 100644
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -261,7 +261,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/notes_py.html b/sphinxman/master/notes_py.html
index 8e162f96558..f02c1e82fc4 100644
--- a/sphinxman/master/notes_py.html
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/numpy.html b/sphinxman/master/numpy.html
index f602cd0c791..2997974be72 100644
--- a/sphinxman/master/numpy.html
+++ b/sphinxman/master/numpy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -380,7 +380,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/objects.inv b/sphinxman/master/objects.inv
index 57a50199afc..de5af0b5350 100644
Binary files a/sphinxman/master/objects.inv and b/sphinxman/master/objects.inv differ
diff --git a/sphinxman/master/occ.html b/sphinxman/master/occ.html
index f3b95dd08fd..ccc5d32a202 100644
--- a/sphinxman/master/occ.html
+++ b/sphinxman/master/occ.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1682,7 +1682,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a40e60c4846..0ee3fd84a5a 100644
--- a/sphinxman/master/oeprop.html
+++ b/sphinxman/master/oeprop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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@@ -412,7 +412,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/opt.html b/sphinxman/master/opt.html
index 2cc418bd4c6..e5e06f1bf83 100644
--- a/sphinxman/master/opt.html
+++ b/sphinxman/master/opt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1577,7 +1577,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/optionshandling.html b/sphinxman/master/optionshandling.html
index 5b415744df2..7995794a226 100644
--- a/sphinxman/master/optionshandling.html
+++ b/sphinxman/master/optionshandling.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -458,7 +458,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -472,7 +472,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/optking.html b/sphinxman/master/optking.html
index b334393040e..4b3fbb10d51 100644
--- a/sphinxman/master/optking.html
+++ b/sphinxman/master/optking.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1120,7 +1120,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1134,7 +1134,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/pcmsolver.html b/sphinxman/master/pcmsolver.html
index cf79deff6f2..08cea7bdae1 100644
--- a/sphinxman/master/pcmsolver.html
+++ b/sphinxman/master/pcmsolver.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -411,7 +411,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -425,7 +425,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/pep0001.html b/sphinxman/master/pep0001.html
index 471c2012ef5..c867ff5ed99 100644
--- a/sphinxman/master/pep0001.html
+++ b/sphinxman/master/pep0001.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/plugin_psi4fockci.html b/sphinxman/master/plugin_psi4fockci.html
index e13fc56f40a..a7a719f5912 100644
--- a/sphinxman/master/plugin_psi4fockci.html
+++ b/sphinxman/master/plugin_psi4fockci.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -282,7 +282,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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@@ -434,7 +434,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -610,7 +610,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7edb0525649..b212a2bec7f 100644
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5e0620461a7..19b34e5191a 100644
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6e720744669..06c7df63a99 100644
--- a/sphinxman/master/prog_integrals.html
+++ b/sphinxman/master/prog_integrals.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -666,7 +666,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 74e886db6bb..2b3e7072c6c 100644
--- a/sphinxman/master/prog_intro.html
+++ b/sphinxman/master/prog_intro.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+++ b/sphinxman/master/prog_newcode.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/prog_style_py.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d80f08e4233..c457219c892 100644
--- a/sphinxman/master/prog_tour.html
+++ b/sphinxman/master/prog_tour.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_ways_to_add.html b/sphinxman/master/prog_ways_to_add.html
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--- a/sphinxman/master/prog_ways_to_add.html
+++ b/sphinxman/master/prog_ways_to_add.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -309,7 +309,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_welcome.html b/sphinxman/master/prog_welcome.html
index b4830393245..a6527e3dd40 100644
--- a/sphinxman/master/prog_welcome.html
+++ b/sphinxman/master/prog_welcome.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 33c7f6f86f6..078c8acbf6e 100644
--- a/sphinxman/master/prop.html
+++ b/sphinxman/master/prop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -339,7 +339,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 89d62821df9..2132dfd49e4 100644
--- a/sphinxman/master/psi4api.html
+++ b/sphinxman/master/psi4api.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1596,7 +1596,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1609,7 +1609,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e1aed407553..36d5e5fa389 100644
--- a/sphinxman/master/psiapi.html
+++ b/sphinxman/master/psiapi.html
@@ -48,7 +48,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -571,7 +571,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6b3b872c51b..0a80deffb03 100644
--- a/sphinxman/master/psimrcc.html
+++ b/sphinxman/master/psimrcc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -367,7 +367,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b499dfe5b2b..e4e0c1e8818 100644
--- a/sphinxman/master/psipep.html
+++ b/sphinxman/master/psipep.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -193,7 +193,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 94a060c22f5..afddb1ac7b4 100644
--- a/sphinxman/master/psithonfunc.html
+++ b/sphinxman/master/psithonfunc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -259,7 +259,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e35e4ccf826..63378e0243a 100644
--- a/sphinxman/master/psithoninput.html
+++ b/sphinxman/master/psithoninput.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -914,7 +914,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b5f3da83f3d..37127c4f4ff 100644
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 977b9376a4f..07ef956d0c2 100644
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/scf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -1399,7 +1399,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/scf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1413,7 +1413,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 04:38PM.
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     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/search.html b/sphinxman/master/search.html
index 9a4ee2af366..15fc1687933 100644
--- a/sphinxman/master/search.html
+++ b/sphinxman/master/search.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
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@@ -99,7 +99,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -193,7 +193,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
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     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7cf898a22fd..c5b92f90bec 100644
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[1485, null]], "COSX_DENSITY_TOLERANCE": [[1232, "cosx-density-tolerance"], [1486, null]], "COSX_INTS_TOLERANCE": [[1232, "cosx-ints-tolerance"], [1487, null]], "COSX_MAXITER_FINAL": [[1232, "cosx-maxiter-final"], [1488, null]], "COSX_OVERLAP_FITTING": [[1232, "cosx-overlap-fitting"], [1489, null]], "COSX_PRUNING_SCHEME": [[1232, "cosx-pruning-scheme"], [1490, null]], "COSX_RADIAL_POINTS_FINAL": [[1232, "cosx-radial-points-final"], [1491, null]], "COSX_RADIAL_POINTS_INITIAL": [[1232, "cosx-radial-points-initial"], [1492, null]], "COSX_SPHERICAL_POINTS_FINAL": [[1232, "cosx-spherical-points-final"], [1493, null]], "COSX_SPHERICAL_POINTS_INITIAL": [[1232, "cosx-spherical-points-initial"], [1494, null]], "COUPLED_INDUCTION": [[1231, "coupled-induction"], [1439, null], [1818, "coupled-induction"], [1818, "id13"]], "COUPLING": [[1230, "coupling"], [1401, null]], "COUPLING_TERMS": [[1230, "coupling-terms"], [1402, null]], "COVALENT_CONNECT": [[1227, "covalent-connect"], [1304, null]], "CPHF": [[1208, null]], "CPHF_MEM_SAFETY_FACTOR": [[715, null], [1208, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1030, null], [1219, "cphf-r-convergence"], [1231, "cphf-r-convergence"], [1440, null], [1818, "cphf-r-convergence"]], "CPHF_TASKS": [[716, null], [1208, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1109, null], [1222, "cubeprop-basis-functions"], [1731, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1110, null], [1222, "cubeprop-filepath"], [1731, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1111, null], [1222, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1112, null], [1222, "cubeprop-orbitals"], [1731, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1113, null], [1222, "cubeprop-tasks"], [1731, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1031, null], [1114, null], [1219, "cubic-basis-tolerance"], [1222, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1032, null], [1115, null], [1219, "cubic-block-max-points"], [1222, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1033, null], [1116, null], [1219, "cubic-grid-overage"], [1222, "cubic-grid-overage"], [1731, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1034, null], [1117, null], [1219, "cubic-grid-spacing"], [1222, "cubic-grid-spacing"], [1731, "cubic-grid-spacing"]], "CUHF": [[14, null]], "CUTOFF": [[919, null], [1214, "cutoff"], [1226, "cutoff"], [1250, null]], "CUTOFF_AMPS_PRINT": [[0, "cutoff-amps-print"], [1, "cutoff-amps-print"], [402, null], [1198, "cutoff-amps-print"]], "Calling compute_shell(int P, int Q)": [[1798, "calling-compute-shell-int-p-int-q"]], "Capabilities": [[1762, "capabilities"]], "Capabilities and Alternate Implementations": [[1720, null]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1720, "id18"]], "CdSalc": [[15, null]], "CdSalcList": [[16, null]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1724, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1798, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1818, "charge-transfer-in-sapt"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1762, "citing-psifour"]], "Class Inheritance Diagram": [[1808, "class-inheritance-diagram"], [1808, "id3"], [1808, "id6"]], "Classes": [[1808, "classes"], [1808, "id2"], [1808, "id5"]], "Clone from GitHub Repository": [[1718, "clone-from-github-repository"]], "Code style conventions": [[1728, null]], "Collect documentation snapshot": [[1769, "collect-documentation-snapshot"]], "Collect new authors": [[1769, "collect-new-authors"]], "Command Line Options": [[1748, "command-line-options"]], "Comments": [[1785, "comments"]], "Community Code of Conduct": [[1792, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1719, null]], "Complete Basis Set": [[1721, null]], "Completely new methods": [[1804, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1818, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1729, null]], "Conda Binary Package": [[1718, "conda-binary-package"]], "Configuration Interaction (CI)": [[1762, "configuration-interaction-ci"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1717, "configuring-and-installing-psifour-via-binary"]], "Configuring, Building, and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Source": [[1717, "configuring-building-and-installing-psifour-via-source"]], "Constrained Optimizations": [[1783, "constrained-optimizations"]], "Contents:": [[1758, null]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1779, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Control": [[1227, "convergence-control"]], "Convergence Control/Stabilization": [[1232, "convergence-control-stabilization"]], "Convergence Criteria": [[1783, "convergence-criteria"]], "Convergence Problems": [[1779, "convergence-problems"]], "Convergence Stabilization": [[1819, "convergence-stabilization"]], "Convergence and Algorithm Defaults": [[1819, "convergence-and-algorithm-defaults"]], "ConvergenceError": 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"how-to-configure-blas-lapack-for-building-psi4"]], "How to configure C++ and C compilers for building Psi4": [[1719, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "How to configure CPPE for building Psi4": [[1730, "how-to-configure-cppe-for-building-psi4"]], "How to configure CheMPS2 for building Psi4": [[1727, "how-to-configure-chemps2-for-building-psi4"]], "How to configure Fortran compilers for building Psi4": [[1719, "how-to-configure-fortran-compilers-for-building-psi4"]], "How to configure LibECPInt for building Psi4": [[1746, "how-to-configure-libecpint-for-building-psi4"]], "How to configure Libint for building Psi4": [[1764, "how-to-configure-libint-for-building-psi4"]], "How to configure Libxc for building Psi4": [[1765, "how-to-configure-libxc-for-building-psi4"]], "How to configure PCMSolver for building Psi4": [[1784, "how-to-configure-pcmsolver-for-building-psi4"]], "How to configure Python for building Psi4": [[1719, "how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1719, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1719, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1735, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1743, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1754, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1756, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1763, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1719, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1820, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1767, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1767, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1767, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1719, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1767, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1767, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1727, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1719, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1719, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1719, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1719, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1719, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1728, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1728, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1729, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1719, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1766, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1767, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1766, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1791, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1791, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1791, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1719, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1718, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1719, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1719, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1719, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1719, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1719, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1719, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1719, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1719, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1728, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1719, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1719, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1719, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1719, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1719, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1719, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1719, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1719, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1729, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1719, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1719, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1719, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1766, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1729, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1719, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1719, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1719, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1791, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1739, "hybrid"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1681, null], [1739, "id5"]], "I-SAPT: A Representative Example": [[1751, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1809, "I.-Basic-Input-Structure"]], "ICORE": [[838, null], [1211, "icore"], [1736, "icore"]], "IDAMAX": [[86, null]], "II. Running a Basic Hartree-Fock Calculation": [[1809, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1809, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1232, "incfock"], [1564, null]], "INCFOCK_CONVERGENCE": [[1232, "incfock-convergence"], [1565, null]], "INCFOCK_FULL_FOCK_EVERY": [[1232, "incfock-full-fock-every"], [1566, null]], "INDUCED_CONVERGENCE": [[1229, "induced-convergence"], [1387, null], [1730, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1227, "intcos-generate-exit"], [1333, null]], "INTEGRAL_CUTOFF": [[928, null], [1214, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1130, null], [1222, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1227, "interfragment-connect"], [1340, null]], "INTERFRAG_COLLINEAR_TOL": [[1227, "interfrag-collinear-tol"], [1334, null]], "INTERFRAG_COORDS": [[1227, "interfrag-coords"], [1335, null]], "INTERFRAG_DIST_INV": [[1227, "interfrag-dist-inv"], [1336, null]], "INTERFRAG_HESS": [[1227, "interfrag-hess"], [1337, null]], "INTERFRAG_MODE": [[1227, "interfrag-mode"], [1338, null]], "INTERFRAG_STEP_LIMIT": [[1227, "interfrag-step-limit"], [1339, null]], "INTERNAL_ROTATIONS": [[1184, null], [1223, "internal-rotations"]], "INTRAFRAG_HESS": [[1227, "intrafrag-hess"], [1341, null]], "INTRAFRAG_STEP_LIMIT": [[1227, "intrafrag-step-limit"], [1342, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1227, "intrafrag-step-limit-max"], [1343, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1227, "intrafrag-step-limit-min"], [1344, null]], "INTS_TOLERANCE": [[416, null], [741, null], [906, null], [1054, null], [1199, "ints-tolerance"], [1209, "ints-tolerance"], [1213, "ints-tolerance"], [1219, "ints-tolerance"], [1225, "ints-tolerance"], [1231, "ints-tolerance"], [1232, "ints-tolerance"], [1235, null], [1453, null], [1567, null], [1818, "ints-tolerance"], [1818, "id26"]], "IO": [[87, null]], "IOManager": [[88, null]], "IP Fitting": [[1738, "ip-fitting"]], "IP_POLES": [[1226, "ip-poles"], [1265, null]], "IRC_DIRECTION": [[1227, "irc-direction"], [1345, null]], "IRC_POINTS": [[1227, "irc-points"], [1346, null]], "IRC_STEP_SIZE": [[1227, "irc-step-size"], [1347, null]], "ISOTROPIC_POL": [[1229, "isotropic-pol"], [1388, null], [1730, "isotropic-pol"]], "ISTOP": [[839, null], [1211, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1809, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1791, "important-blas-routines"]], "Important Lapack Routines": [[1791, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1783, "important-user-changes-from-cpp-optking"]], "InPsight": [[324, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1805, "incorporating-code-into-psifour"]], "Initial Guess": [[1819, "initial-guess"]], "Initialize release branch": [[1769, "initialize-release-branch"]], "Input": [[1743, "input"], [1756, "input"]], "Inputting effective core potentials (ECPs)": [[1711, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1724, "installation"], [1727, "installation"], [1730, "installation"], [1735, "installation"], [1740, "installation"], [1743, "installation"], [1746, "installation"], [1754, "installation"], [1755, "installation"], [1756, "installation"], [1763, "installation"], [1764, "installation"], [1765, "installation"], [1773, "installation"], [1784, "installation"], [1786, "installation"], [1787, "installation"], [1788, "installation"], [1820, "installation"]], "Installation and Runtime Configuration": [[1748, null]], "Installing BrianQC": [[1716, "installing-brianqc"]], "Installing Sphinx": [[1745, "installing-sphinx"]], "Instantiating integral objects": [[1798, "instantiating-integral-objects"]], "IntVector": [[89, null]], "Integral consuming technologies": [[1804, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1819, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[90, null]], "IntegralTransform": [[91, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1798, null]], "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1796, null]], "Interface Details": [[1773, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1724, null]], "Interface to CPPE by M. Scheurer": [[1730, null]], "Interface to CheMPS2 by S. Wouters": [[1727, null]], "Interface to DFTD3 by S. Grimme": [[1740, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1743, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1756, null]], "Interface to GeomeTRIC": [[1783, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1763, null]], "Interface to LibECPInt by R. Shaw": [[1746, null]], "Interface to Libint by E. Valeev": [[1764, null]], "Interface to Libxc by M. A. L. Marques": [[1765, null]], "Interface to MRCC by M. K\u00e1llay": [[1773, null]], "Interface to Molden \u2014 molden()": [[1772, null]], "Interface to NumPy": [[1778, null]], "Interface to PCMSolver by R. Di Remigio": [[1784, null]], "Interface to SIMINT by B. Pritchard": [[1820, null]], "Interface to adcc": [[0, "interface-to-adcc"]], "Interface to adcc by M. F. Herbst and M. Scheurer": [[1, null]], "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst": [[1735, null]], "Interface to gCP by S. Grimme": [[1755, null]], "Interface to gau2grid by D. G. A. Smith": [[1754, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1750, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1716, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1761, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1795, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1818, "interpreting-sapt-results"]], "Introduction": [[1731, "introduction"], [1737, "introduction"], [1744, "introduction"], [1762, null], [1779, "introduction"], [1798, "introduction"], [1819, "introduction"], [1822, "introduction"]], "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1799, null]], "IrreducibleRepresentation": [[92, null]], "Isotopic Substitution": [[1814, "isotopic-substitution"]], "Iterative Algorithms": [[1734, "iterative-algorithms"]], "Iterative solver parameters": [[1735, "iterative-solver-parameters"]], "JK": [[93, null]], "JOBTYPE": [[517, null], [1203, "jobtype"]], "JSCH": [[1673, "jsch"], [1733, "jsch"]], "JSON": [[1702, null]], "Job Control Keywords": [[1813, "job-control-keywords"]], "KIND": [[1, "kind"], [404, null], [1198, "kind"]], "Keywords": [[401, "keywords"], [1716, "keywords"], [1731, "keywords"], [1743, "keywords"], [1817, "keywords"], [1824, "keywords"]], "Keywords by Alpha": [[1685, null]], "Keywords by Module": [[1686, null]], "Keywords for CPPE": [[1730, "keywords-for-cppe"]], "Keywords for PCMSolver": [[1784, "keywords-for-pcmsolver"]], "Keywords for adcc": [[1, "keywords-for-adcc"]], "KineticInt": [[94, null]], "Known limitations": [[1822, "known-limitations"]], "LAPACK Wrappers": [[1791, "lapack-wrappers"]], "LEVEL_SHIFT": [[929, null], [1185, null], [1214, "level-shift"], [1223, "level-shift"], [1226, "level-shift"], [1232, "level-shift"], [1266, null], [1568, null]], "LEVEL_SHIFT_CUTOFF": [[1232, "level-shift-cutoff"], [1569, null]], "LIBEFP": [[1703, null]], "LINEAR": [[541, null], [1204, "linear"]], "LINEQ_SOLVER": [[930, null], [1214, "lineq-solver"]], "LINK_INTS_TOLERANCE": [[1232, "link-ints-tolerance"], [1570, null]], "LITERAL_CFOUR": [[1131, null], [1222, "literal-cfour"]], "LOCAL": [[442, null], [479, null], [518, null], [542, null], [1200, "local"], [1201, "local"], [1203, "local"], [1204, "local"]], "LOCAL_CONVERGENCE": [[974, null], [1055, null], [1215, "local-convergence"], [1219, "local-convergence"], [1232, "local-convergence"], [1571, null]], "LOCAL_CPHF_CUTOFF": [[443, null], [519, null], [543, null], [1200, "local-cphf-cutoff"], [1203, "local-cphf-cutoff"], [1204, "local-cphf-cutoff"]], "LOCAL_CUTOFF": [[444, null], [480, null], [520, null], [544, null], [1200, "local-cutoff"], [1201, "local-cutoff"], [1203, 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"api/psi4.driver.p4util.spectrum", "api/psi4.driver.p4util.state_to_atomicinput", "api/psi4.driver.pcm_helper", "api/psi4.driver.process_input", "api/psi4.driver.prop", "api/psi4.driver.properties", "api/psi4.driver.qcdb.vib.compare_vibinfos", "api/psi4.driver.qcdb.vib.filter_nonvib", "api/psi4.driver.qcdb.vib.filter_omega_to_real", "api/psi4.driver.qcdb.vib.harmonic_analysis", "api/psi4.driver.qcdb.vib.hessian_symmetrize", "api/psi4.driver.qcdb.vib.print_molden_vibs", "api/psi4.driver.qcdb.vib.print_vibs", "api/psi4.driver.qcdb.vib.thermo", "api/psi4.driver.sanitize_method", "api/psi4.driver.sanitize_name", "api/psi4.driver.scf_helper", "api/psi4.driver.scf_wavefunction_factory", "api/psi4.driver.set_memory", "api/psi4.driver.set_module_options", "api/psi4.driver.set_options", "api/psi4.driver.tdscf", "api/psi4.driver.vibanal_wfn", "appendices", "autodir_options_c/adc__cutoff_amps_print", "autodir_options_c/adc__gauge", "autodir_options_c/adc__kind", "autodir_options_c/adc__max_num_vecs", "autodir_options_c/adc__maxiter", "autodir_options_c/adc__num_core_orbitals", "autodir_options_c/adc__num_guesses", "autodir_options_c/adc__r_convergence", "autodir_options_c/adc__reference", "autodir_options_c/adc__roots_per_irrep", "autodir_options_c/ccdensity__ao_basis", "autodir_options_c/ccdensity__cachelevel", "autodir_options_c/ccdensity__debug", "autodir_options_c/ccdensity__gauge", "autodir_options_c/ccdensity__ints_tolerance", "autodir_options_c/ccdensity__opdm_only", "autodir_options_c/ccdensity__opdm_relax", "autodir_options_c/ccdensity__prop_all", "autodir_options_c/ccdensity__prop_root", "autodir_options_c/ccdensity__prop_sym", "autodir_options_c/ccdensity__reference", "autodir_options_c/ccdensity__roots_per_irrep", "autodir_options_c/ccdensity__wfn", "autodir_options_c/ccdensity__write_nos", "autodir_options_c/ccdensity__xi", "autodir_options_c/ccdensity__xi_connect", "autodir_options_c/ccdensity__zeta", "autodir_options_c/ccenergy__abcd", "autodir_options_c/ccenergy__analyze", "autodir_options_c/ccenergy__ao_basis", "autodir_options_c/ccenergy__bccd_maxiter", "autodir_options_c/ccenergy__brueckner_orbs_r_convergence", "autodir_options_c/ccenergy__cachelevel", "autodir_options_c/ccenergy__cachetype", "autodir_options_c/ccenergy__cc_num_threads", "autodir_options_c/ccenergy__cc_os_scale", "autodir_options_c/ccenergy__cc_ss_scale", "autodir_options_c/ccenergy__diis", "autodir_options_c/ccenergy__e_convergence", "autodir_options_c/ccenergy__force_restart", "autodir_options_c/ccenergy__local", "autodir_options_c/ccenergy__local_cphf_cutoff", "autodir_options_c/ccenergy__local_cutoff", "autodir_options_c/ccenergy__local_method", "autodir_options_c/ccenergy__local_pairdef", "autodir_options_c/ccenergy__local_weakp", "autodir_options_c/ccenergy__maxiter", "autodir_options_c/ccenergy__mp2_amps_print", "autodir_options_c/ccenergy__mp2_os_scale", "autodir_options_c/ccenergy__mp2_ss_scale", "autodir_options_c/ccenergy__new_triples", "autodir_options_c/ccenergy__num_amps_print", "autodir_options_c/ccenergy__pair_energies_print", "autodir_options_c/ccenergy__property", "autodir_options_c/ccenergy__r_convergence", "autodir_options_c/ccenergy__reference", "autodir_options_c/ccenergy__restart", "autodir_options_c/ccenergy__scs_ccsd", "autodir_options_c/ccenergy__scs_mp2", "autodir_options_c/ccenergy__scsn_mp2", "autodir_options_c/ccenergy__semicanonical", "autodir_options_c/ccenergy__t2_coupled", "autodir_options_c/ccenergy__t3_ws_incore", "autodir_options_c/ccenergy__wfn", "autodir_options_c/cceom__abcd", "autodir_options_c/cceom__cachelevel", "autodir_options_c/cceom__cachetype", "autodir_options_c/cceom__cc3_follow_root", "autodir_options_c/cceom__cc_num_threads", "autodir_options_c/cceom__collapse_with_last", "autodir_options_c/cceom__collapse_with_last_cc3", "autodir_options_c/cceom__complex_tolerance", "autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", "autodir_options_c/scf__dft_alpha", "autodir_options_c/scf__dft_alpha_c", "autodir_options_c/scf__dft_basis_tolerance", "autodir_options_c/scf__dft_block_max_points", "autodir_options_c/scf__dft_block_max_radius", "autodir_options_c/scf__dft_block_min_points", "autodir_options_c/scf__dft_block_scheme", "autodir_options_c/scf__dft_bs_radius_alpha", "autodir_options_c/scf__dft_density_tolerance", "autodir_options_c/scf__dft_dispersion_parameters", "autodir_options_c/scf__dft_grac_alpha", "autodir_options_c/scf__dft_grac_beta", "autodir_options_c/scf__dft_grac_c_func", "autodir_options_c/scf__dft_grac_shift", "autodir_options_c/scf__dft_grac_x_func", "autodir_options_c/scf__dft_grid_name", "autodir_options_c/scf__dft_nuclear_scheme", "autodir_options_c/scf__dft_omega", "autodir_options_c/scf__dft_omega_c", "autodir_options_c/scf__dft_pruning_alpha", "autodir_options_c/scf__dft_pruning_scheme", "autodir_options_c/scf__dft_radial_points", "autodir_options_c/scf__dft_radial_scheme", "autodir_options_c/scf__dft_remove_distant_points", "autodir_options_c/scf__dft_spherical_points", "autodir_options_c/scf__dft_spherical_scheme", "autodir_options_c/scf__dft_v2_rho_cutoff", "autodir_options_c/scf__dft_vv10_b", "autodir_options_c/scf__dft_vv10_c", 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"psi4.core.IntegralFactory.ao_multipole_potential", false]], "ao_multipole_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_multipole_potential", false]], "ao_multipoles() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_multipoles", false]], "ao_multipoles() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_multipoles", false]], "ao_nabla() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_nabla", false]], "ao_nabla() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_nabla", false]], "ao_oei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_oei_deriv1", false]], "ao_oei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_oei_deriv2", false]], "ao_overlap() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_overlap", false]], "ao_overlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_overlap", false]], "ao_overlap_half_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_overlap_half_deriv1", false]], "ao_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_potential", false]], "ao_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_potential", false]], "ao_potential_erf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_potential_erf", false]], "ao_potential_erf_complement() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_potential_erf_complement", false]], "ao_pvp() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_pvp", false]], "ao_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_quadrupole", false]], "ao_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_quadrupole", false]], "ao_tei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_tei_deriv1", false]], "ao_tei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_tei_deriv2", false]], "ao_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ao_to_shell", false]], "ao_traceless_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_traceless_quadrupole", false]], "ao_traceless_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_traceless_quadrupole", false]], "aorbs() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.aOrbs", false]], "aoshellcombinationsiterator (class in psi4.core)": [[3, "psi4.core.AOShellCombinationsIterator", false]], "aotoso() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.aotoso", false]], "aotoso() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.aotoso", false]], "append() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.append", false]], "appendcharges() (psi4.core.externalpotential 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false]], "architectures": [[1762, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[149, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1778, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[152, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[153, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.arrays", false]], "ascending 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"auxiliary_bond_factor (optking)": [[1685, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1733, "index-4", false]], "available by element": [[1712, "index-0", false]], "available by family": [[1711, "index-0", false], [1714, "index-0", false]], "available functionals": [[1739, "index-0", false]], "avg_states (detci)": [[1685, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1685, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1685, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[283, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1736, "index-2", false], [1752, "index-2", false]], "basis (dfmp2)": [[1685, "term-BASIS-DFMP2", true]], "basis (mints)": [[1685, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1685, "term-BASIS-SAPT", true]], "basis (scf)": [[1685, "term-BASIS-SCF", true]], "basis set": [[1711, "index-0", false], [1711, "index-1", false], [1711, "index-2", false], [1711, "index-3", false], [1712, "index-0", false], [1713, "index-0", false], [1714, "index-0", false], [1721, "index-0", false], [1721, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[148, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1685, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[284, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1685, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[93, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1757, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1685, "term-BCCD_MAXITER-CCENERGY", true]], 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"c1_deep_copy() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rhf method)": [[129, "psi4.core.RHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.uhf method)": [[146, "psi4.core.UHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.c1_deep_copy", false]], "c2_x() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_x", false]], "c2_y() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_y", false]], "c2_z() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_z", false]], "c_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_add", false]], "c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_alpha", false]], "c_clear() (psi4.core.jk method)": [[93, "psi4.core.JK.C_clear", false]], "c_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functional", false]], "c_functionals() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1685, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1685, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1685, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1685, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1685, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1685, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1685, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1685, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1685, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1685, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1685, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1685, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1685, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1685, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1685, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1685, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1757, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1757, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1757, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1757, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[285, "index-0", false], [1721, "index-0", false], [1721, "index-1", false], [1721, "index-2", false], [1721, "index-3", false], [1722, "index-0", false]], "cbs() (in module psi4.driver)": [[285, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1723, "index-0", false]], "cc (detci)": [[1685, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1757, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1757, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1757, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1757, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1757, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1757, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1757, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1757, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1757, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1757, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1757, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1757, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1757, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1757, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1757, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1757, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1757, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1757, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1757, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1723, "index-0", false]], "cc2 alpha-alpha pair energies": [[1757, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1757, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1757, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1757, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1757, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1757, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1757, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1757, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1757, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1757, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1757, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1757, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1757, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1685, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1757, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1757, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1685, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1685, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1685, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1685, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1685, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1685, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1685, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1685, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1685, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1685, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1685, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1685, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1685, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1685, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1685, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1685, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1685, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1685, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1685, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1685, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1685, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1685, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1685, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1685, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1685, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1685, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1685, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1685, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1685, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1685, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1757, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1757, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1757, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1757, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1757, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1757, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1685, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1685, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1685, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[161, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[162, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[163, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[164, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1685, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[165, "psi4.core.cclambda", false]], "ccn correlation energy": [[1757, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1757, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1757, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1757, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1757, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1757, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1757, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1757, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-A-LEN", false]], "ccname root m (in h) -> root n (in i) einstein b (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-B-LEN", false]], "ccname root m (in h) -> root n (in i) oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1757, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1757, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1757, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1757, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1757, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1757, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1757, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1757, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1757, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1757, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1757, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1757, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[166, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1757, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1757, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1757, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1757, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1757, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1757, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1757, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1757, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1757, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1757, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1757, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1757, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1757, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1757, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1752, "index-1", false]], "ccsd(t) correlation energy": [[1757, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1757, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1757, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1757, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1757, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1757, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1757, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1757, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1757, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1757, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1757, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1757, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1757, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1757, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1757, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1757, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1757, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1757, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1757, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1757, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1757, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1757, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1757, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1757, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1757, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1757, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1757, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1757, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[167, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[168, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1752, "index-1", false]], "cepa(0) correlation energy": [[1757, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1757, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1757, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1757, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1757, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1757, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1757, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1757, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1757, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1757, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1757, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1757, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1757, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1757, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1757, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1757, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1757, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1757, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1757, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1757, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1757, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1757, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1757, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1757, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1757, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1757, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1685, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1685, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1685, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1685, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1685, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1685, "term-CEPA_TYPE-OCC", true]], "cfour": [[1724, "index-0", false]], "cfour error code": [[1757, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1685, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1685, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1685, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1685, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1685, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1685, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1685, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1685, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1685, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1685, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1685, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1685, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1685, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1685, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1685, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1685, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1685, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1685, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1685, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1685, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1685, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1685, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1685, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1685, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1685, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1685, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1685, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1685, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1685, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1685, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1685, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1685, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1685, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1685, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1685, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1685, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1685, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1685, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1685, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1685, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1685, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1685, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1685, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1685, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1685, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1685, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1685, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1685, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1685, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1685, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1685, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1685, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1685, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1685, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1685, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1685, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1685, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1685, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1685, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1685, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1685, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1685, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1685, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1685, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1685, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1685, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1685, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1685, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1685, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1685, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1685, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1685, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1685, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1685, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1685, "term-CFOUR_INPUT_MRCC-CFOUR", true]], "cfour_integrals (cfour)": [[1685, "term-CFOUR_INTEGRALS-CFOUR", true]], "cfour_joda_print (cfour)": [[1685, "term-CFOUR_JODA_PRINT-CFOUR", true]], "cfour_lineq_conv (cfour)": [[1685, "term-CFOUR_LINEQ_CONV-CFOUR", true]], "cfour_lineq_maxcy (cfour)": [[1685, "term-CFOUR_LINEQ_MAXCY-CFOUR", true]], "cfour_lineq_type (cfour)": [[1685, "term-CFOUR_LINEQ_TYPE-CFOUR", true]], "cfour_lock_orbocc (cfour)": [[1685, "term-CFOUR_LOCK_ORBOCC-CFOUR", true]], "cfour_maxstep (cfour)": [[1685, "term-CFOUR_MAXSTEP-CFOUR", true]], "cfour_mem_unit (cfour)": [[1685, "term-CFOUR_MEM_UNIT-CFOUR", true]], "cfour_memory_size (cfour)": [[1685, "term-CFOUR_MEMORY_SIZE-CFOUR", true]], "cfour_method (cfour)": [[1685, "term-CFOUR_METHOD-CFOUR", true]], "cfour_mrcc (cfour)": [[1685, "term-CFOUR_MRCC-CFOUR", true]], "cfour_multiplicity (cfour)": [[1685, "term-CFOUR_MULTIPLICITY-CFOUR", true]], "cfour_nacoupling (cfour)": [[1685, "term-CFOUR_NACOUPLING-CFOUR", true]], "cfour_negeval (cfour)": [[1685, "term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1685, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1685, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1685, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1685, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1685, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1685, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1685, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1685, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1685, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1685, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1685, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1685, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1685, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general (cfour)": [[1685, "term-CFOUR_QRHF_GENERAL-CFOUR", true]], "cfour_qrhf_orbital (cfour)": [[1685, "term-CFOUR_QRHF_ORBITAL-CFOUR", true]], "cfour_qrhfgues (cfour)": [[1685, "term-CFOUR_QRHFGUES-CFOUR", true]], "cfour_raman_int (cfour)": [[1685, "term-CFOUR_RAMAN_INT-CFOUR", true]], "cfour_raman_orb (cfour)": [[1685, "term-CFOUR_RAMAN_ORB-CFOUR", true]], "cfour_rdo (cfour)": [[1685, "term-CFOUR_RDO-CFOUR", true]], "cfour_reference (cfour)": [[1685, "term-CFOUR_REFERENCE-CFOUR", true]], "cfour_relativistic (cfour)": [[1685, "term-CFOUR_RELATIVISTIC-CFOUR", true]], "cfour_relax_dens (cfour)": [[1685, "term-CFOUR_RELAX_DENS-CFOUR", true]], "cfour_res_raman (cfour)": [[1685, "term-CFOUR_RES_RAMAN-CFOUR", true]], "cfour_restart_cc (cfour)": [[1685, "term-CFOUR_RESTART_CC-CFOUR", true]], "cfour_rot_evec (cfour)": [[1685, "term-CFOUR_ROT_EVEC-CFOUR", true]], "cfour_save_ints (cfour)": [[1685, "term-CFOUR_SAVE_INTS-CFOUR", true]], "cfour_scale_on (cfour)": [[1685, "term-CFOUR_SCALE_ON-CFOUR", true]], "cfour_scf_conv (cfour)": [[1685, "term-CFOUR_SCF_CONV-CFOUR", true]], "cfour_scf_damping (cfour)": [[1685, "term-CFOUR_SCF_DAMPING-CFOUR", true]], "cfour_scf_exporder (cfour)": [[1685, "term-CFOUR_SCF_EXPORDER-CFOUR", true]], "cfour_scf_expstart (cfour)": [[1685, "term-CFOUR_SCF_EXPSTART-CFOUR", true]], "cfour_scf_extrapolation (cfour)": [[1685, "term-CFOUR_SCF_EXTRAPOLATION-CFOUR", true]], "cfour_scf_maxcyc (cfour)": [[1685, "term-CFOUR_SCF_MAXCYC-CFOUR", true]], "cfour_sd_field (cfour)": [[1685, "term-CFOUR_SD_FIELD-CFOUR", true]], "cfour_spherical (cfour)": [[1685, "term-CFOUR_SPHERICAL-CFOUR", true]], "cfour_spin_flip (cfour)": [[1685, "term-CFOUR_SPIN_FLIP-CFOUR", true]], "cfour_spin_orbit (cfour)": [[1685, "term-CFOUR_SPIN_ORBIT-CFOUR", true]], "cfour_spin_scal (cfour)": [[1685, "term-CFOUR_SPIN_SCAL-CFOUR", true]], "cfour_spinrotation (cfour)": [[1685, "term-CFOUR_SPINROTATION-CFOUR", true]], "cfour_subgroup (cfour)": [[1685, "term-CFOUR_SUBGROUP-CFOUR", true]], "cfour_sym_check (cfour)": [[1685, "term-CFOUR_SYM_CHECK-CFOUR", true]], "cfour_symmetry (cfour)": [[1685, "term-CFOUR_SYMMETRY-CFOUR", true]], "cfour_t3_extrapol (cfour)": [[1685, "term-CFOUR_T3_EXTRAPOL-CFOUR", true]], "cfour_tamp_sum (cfour)": [[1685, "term-CFOUR_TAMP_SUM-CFOUR", true]], "cfour_thermochemistry (cfour)": [[1685, "term-CFOUR_THERMOCHEMISTRY-CFOUR", true]], "cfour_trans_inv (cfour)": [[1685, "term-CFOUR_TRANS_INV-CFOUR", true]], "cfour_treat_pert (cfour)": [[1685, "term-CFOUR_TREAT_PERT-CFOUR", true]], "cfour_uij_threshold (cfour)": [[1685, "term-CFOUR_UIJ_THRESHOLD-CFOUR", true]], "cfour_units (cfour)": [[1685, "term-CFOUR_UNITS-CFOUR", true]], "cfour_update_hessian (cfour)": [[1685, "term-CFOUR_UPDATE_HESSIAN-CFOUR", true]], "cfour_vibration (cfour)": [[1685, "term-CFOUR_VIBRATION-CFOUR", true]], "cfour_vtran (cfour)": [[1685, "term-CFOUR_VTRAN-CFOUR", true]], "cfour_xfield (cfour)": [[1685, "term-CFOUR_XFIELD-CFOUR", true]], "cfour_xform_tol (cfour)": [[1685, "term-CFOUR_XFORM_TOL-CFOUR", true]], "cfour_yfield (cfour)": [[1685, "term-CFOUR_YFIELD-CFOUR", true]], "cfour_zfield (cfour)": [[1685, "term-CFOUR_ZFIELD-CFOUR", true]], "cg_solver() (in module psi4.driver.p4util)": [[336, "psi4.driver.p4util.cg_solver", false]], "chain_dot() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.chain_dot", false]], "change_file_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.change_file_namespace", false]], "char_table() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.char_table", false]], "character() (psi4.core.irreduciblerepresentation method)": [[92, "psi4.core.IrreducibleRepresentation.character", false]], "charactertable (class in psi4.core)": [[17, "psi4.core.CharacterTable", false]], "charge": [[1814, "index-2", false]], "charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.charge", false]], "charge-transfer": [[1818, "index-4", false]], "check_phases() (psi4.core.hf method)": [[85, "psi4.core.HF.check_phases", false]], "chemps2": [[1727, "index-0", false]], "cholesky (dfocc)": [[1685, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1685, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1685, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1685, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1736, "index-0", false], [1736, "index-1", false], [1736, "index-2", false], [1736, "index-3", false], [1736, "index-4", false], [1736, "index-5", false], [1770, "index-2", false]], "ci correlation energy": [[1757, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1757, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1757, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1757, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1757, "psivar-CI-ROOT-n-ROOT-m-QUADRUPOLE", false]], "ci root n correlation energy": [[1757, "psivar-CI-ROOT-n-CORRELATION-ENERGY", false]], "ci root n dipole": [[1757, "psivar-CI-ROOT-n-DIPOLE", false]], "ci root n quadrupole": [[1757, "psivar-CI-ROOT-n-QUADRUPOLE", false]], "ci root n total energy": [[1757, "psivar-CI-ROOT-n-TOTAL-ENERGY", false]], "ci state-averaged correlation energy": [[1757, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", false]], "ci state-averaged total energy": [[1757, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", false]], "ci total energy": [[1757, "psivar-CI-TOTAL-ENERGY", false]], "ci_diis (mcscf)": [[1685, "term-CI_DIIS-MCSCF", true]], "ci_file_start (detci)": [[1685, "term-CI_FILE_START-DETCI", true]], "ci_maxiter (detci)": [[1685, "term-CI_MAXITER-DETCI", true]], "ci_nat_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.ci_nat_orbs", false]], "ci_num_threads (detci)": [[1685, "term-CI_NUM_THREADS-DETCI", true]], "ci_type (globals)": [[1685, "term-CI_TYPE-GLOBALS", true]], "ciblks_print (detci)": [[1685, "term-CIBLKS_PRINT-DETCI", true]], "cin correlation energy": [[1757, "psivar-CIn-CORRELATION-ENERGY", false]], "cin total energy": [[1757, "psivar-CIn-TOTAL-ENERGY", false]], "cisd correlation energy": [[1757, "psivar-CISD-CORRELATION-ENERGY", false]], "cisd dipole": [[1757, "psivar-CISD-DIPOLE", false]], "cisd doubles energy": [[1757, "psivar-CISD-DOUBLES-ENERGY", false]], "cisd opposite-spin correlation energy": [[1757, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cisd quadrupole": [[1757, "psivar-CISD-QUADRUPOLE", false]], "cisd same-spin correlation energy": [[1757, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", false]], "cisd singles energy": [[1757, "psivar-CISD-SINGLES-ENERGY", false]], "cisd total energy": [[1757, "psivar-CISD-TOTAL-ENERGY", false]], "cisdt correlation energy": [[1757, "psivar-CISDT-CORRELATION-ENERGY", false]], "cisdt total energy": [[1757, "psivar-CISDT-TOTAL-ENERGY", false]], "cisdtq 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"psi4.core.dpdfile2.coldim", false]], "coldim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.coldim", false]], "collapse_size (detci)": [[1685, "term-COLLAPSE_SIZE-DETCI", true]], "collapse_with_last (cceom)": [[1685, "term-COLLAPSE_WITH_LAST-CCEOM", true]], "collapse_with_last_cc3 (cceom)": [[1685, "term-COLLAPSE_WITH_LAST_CC3-CCEOM", true]], "collocation": [[1754, "index-0", false]], "collocation_size() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.collocation_size", false]], "colors (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.colors", false]], "cols() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.cols", false]], "com_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.com_fixed", false]], "comment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.comment", false]], "compare() (in module psi4)": [[2, "psi4.compare", false]], "compare_cubes() (in module psi4)": [[2, "psi4.compare_cubes", 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"compute_spin_contamination() (psi4.core.hf method)": [[85, "psi4.core.HF.compute_spin_contamination", false]], "compute_state_transfer() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.compute_state_transfer", false]], "compute_thc_factorization() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1685, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[148, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[148, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[93, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1719, "index-20", false], [1719, "index-22", false], [1748, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1685, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1783, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1762, "index-3", false]], "continuum solvation": [[1735, "index-0", false], [1784, "index-0", false]], "converged (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1783, "index-3", false]], "convergenceerror": [[267, "psi4.driver.ConvergenceError", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[149, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[290, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.copy_file_to_scratch", false]], "copy_lower_to_upper() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy_lower_to_upper", false]], "copy_upper_to_lower() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy_upper_to_lower", false]], "core_hamiltonian_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.core_hamiltonian_grad", false]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2", false]], "corr_ansatz (psimrcc)": [[1685, "term-CORR_ANSATZ-PSIMRCC", true]], "corr_ccsd_t (psimrcc)": [[1685, "term-CORR_CCSD_T-PSIMRCC", true]], "corr_charge (psimrcc)": [[1685, "term-CORR_CHARGE-PSIMRCC", true]], "corr_multp (psimrcc)": [[1685, "term-CORR_MULTP-PSIMRCC", true]], "corr_wfn (psimrcc)": [[1685, "term-CORR_WFN-PSIMRCC", true]], "correlated (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Correlated", false]], "correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1735, "index-0", false]], "cosx_basis_tolerance (scf)": [[1685, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1685, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1685, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1685, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1685, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1685, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1685, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1685, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1814, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1775, "index-1", false]], "coupled_induction (sapt)": [[1685, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1685, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1685, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1685, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1775, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1757, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1685, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1685, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1685, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1685, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1730, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1719, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1719, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[109, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[102, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[291, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.Ct", false]], "cube": [[1731, "index-0", false]], "cubeprop": [[1731, "index-0", false]], "cubeprop() (in module psi4.driver)": [[292, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1685, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1685, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1685, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1685, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1685, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1685, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1685, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1685, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1685, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1685, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1685, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1685, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1685, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1757, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current dipole": [[1757, "psivar-CURRENT-DIPOLE", false]], "current dipole gradient": [[1757, "psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1757, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1757, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1757, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1757, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1757, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1757, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1757, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1757, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1757, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1757, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "cutoff (dfocc)": [[1685, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1685, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1685, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[93, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1685, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1685, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1685, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1685, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1819, "index-2", false]], "damping_convergence (scf)": [[1685, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1685, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1685, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1685, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1685, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1685, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[85, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[148, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1733, "index-0", false], [1733, "index-3", false], [1733, "index-4", false], [1816, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1733, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1733, "index-0", false]], "db() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1757, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1757, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1757, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1734, "index-0", false]], "dct lambda energy": [[1757, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1757, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1757, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1757, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[174, "psi4.core.dct", false]], "dct_functional (dct)": [[1685, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1685, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1685, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1757, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1735, "index-0", false]], "ddx (globals)": [[1685, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1685, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1685, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1685, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1685, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1685, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1685, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1685, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1685, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1685, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1685, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1685, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1685, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1685, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1685, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1685, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1685, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1685, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1685, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1685, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1685, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1685, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1685, "term-DEBUG-CPHF", true]], "debug (globals)": [[1685, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1713, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[175, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[176, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[177, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1685, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1721, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1685, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1685, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1737, "index-0", false], [1752, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1685, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1685, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[81, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1757, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[178, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1685, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1752, "index-1", false]], "df-mp2": [[1737, "index-0", false], [1737, "index-1", false]], "df_basis_cc (fnocc)": [[1685, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1685, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1685, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1685, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1685, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1685, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1685, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1685, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1685, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1685, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1685, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1685, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1685, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1685, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1685, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1685, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1685, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1685, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1685, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1685, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1685, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1685, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1685, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1685, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1685, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[103, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[179, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1685, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1685, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1685, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[180, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1738, "index-0", false], [1739, "index-0", false], [1765, "index-0", false]], "dft dipole gradient": [[1757, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1757, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1757, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1757, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1757, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1757, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1757, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1685, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1685, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1685, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1685, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1685, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1685, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1685, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1685, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1685, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1685, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1685, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1685, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1685, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1685, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1685, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1685, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1685, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1685, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1685, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1685, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1685, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1685, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1685, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1685, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1685, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1685, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1685, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1685, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1685, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1685, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1685, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1685, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1685, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1685, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1740, "index-0", false]], "dftd4": [[1740, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1741, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1685, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1685, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1685, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1685, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1819, "index-2", false]], "diis (ccenergy)": [[1685, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1685, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1685, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1685, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1685, "term-DIIS-MCSCF", true]], "diis (scf)": [[1685, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[85, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[129, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1685, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1685, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1685, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1685, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1685, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1685, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1685, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1685, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1685, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1685, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1685, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1685, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1685, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1685, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1685, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1685, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1685, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[149, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[149, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1685, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1685, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1685, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1757, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1756, "index-0", false]], "distributed_matrix (scf)": [[1685, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1743, "index-0", false]], "dkh_order (globals)": [[1685, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[181, "psi4.core.dlpno", false]], "dlpno-mp2": [[1744, "index-0", false], [1744, "index-1", false]], "dlpno_algorithm (dlpno)": [[1685, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1685, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1685, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1756, "index-0", false]], "dma distributed multipoles": [[1757, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1757, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[182, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1757, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1757, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1685, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1685, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1685, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1685, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1685, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1685, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1685, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1685, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1685, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1685, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1685, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1685, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1685, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1685, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1685, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1685, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1685, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1685, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1685, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1685, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1685, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1685, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1685, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1685, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1685, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], 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"do_sos (dfocc)": [[1685, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1685, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1685, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1685, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1685, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[293, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1685, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1685, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1685, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1685, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.domain", false]], 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[[104, "psi4.core.MintsHelper.factory", false]], "fail_on_maxiter (scf)": [[1685, "term-FAIL_ON_MAXITER-SCF", true]], "failure (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.Failure", false]], "favg (mcscf)": [[1685, "term-FAVG-MCSCF", true]], "favg_ccsd_t (psimrcc)": [[1685, "term-FAVG_CCSD_T-PSIMRCC", true]], "favg_start (mcscf)": [[1685, "term-FAVG_START-MCSCF", true]], "fb() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Fb", false]], "fb_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Fb_subset", false]], "fcharge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fcharge", false]], "fchk": [[1750, "index-0", false]], "fchk() (in module psi4.driver)": [[297, "psi4.driver.fchk", false]], "fchkwriter (class in psi4.core)": [[75, "psi4.core.FCHKWriter", false]], "fci (detci)": [[1685, "term-FCI-DETCI", true]], "fci correlation energy": [[1757, "psivar-FCI-CORRELATION-ENERGY", false]], "fci total energy": [[1757, "psivar-FCI-TOTAL-ENERGY", false]], "fci_strings (detci)": [[1685, "term-FCI_STRINGS-DETCI", true]], "fcidump() (in module psi4.driver)": [[298, "psi4.driver.fcidump", false]], "fcidump() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump", false]], "fcidump_from_file() (in module psi4.driver)": [[299, "psi4.driver.fcidump_from_file", false]], "fcidump_from_file() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.fcidump_from_file", false]], "fcidump_tei_helper() (in module psi4.core)": [[188, "psi4.core.fcidump_tei_helper", false]], "fctl dispersion correction energy": [[1757, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", false]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.fctldash", false]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash", false]], "fd_project (findif)": [[1685, "term-FD_PROJECT-FINDIF", true]], "fdds_dispersion (class in psi4.core)": [[76, "psi4.core.FDDS_Dispersion", false]], "fdisp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.fdisp", false]], "felst() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.felst", false]], "fexch() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.fexch", false]], "fill() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.fill", false]], "filter_guess (detci)": [[1685, "term-FILTER_GUESS-DETCI", true]], "filter_guess_det1 (detci)": [[1685, "term-FILTER_GUESS_DET1-DETCI", true]], "filter_guess_det2 (detci)": [[1685, "term-FILTER_GUESS_DET2-DETCI", true]], "filter_guess_sign (detci)": [[1685, "term-FILTER_GUESS_SIGN-DETCI", true]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_nonvib", false]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.filter_omega_to_real", false]], "filter_zero_det (detci)": [[1685, "term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[189, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[93, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[300, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.find_occupation", false]], "find_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.find_point_group", false]], "findif number": [[1757, "psivar-FINDIF-NUMBER", false]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec", false]], "first() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.first", false]], "fisapt": [[1751, "index-0", false]], "fisapt (class in psi4.core)": [[77, "psi4.core.FISAPT", false]], "fisapt_charge_completeness (fisapt)": [[1685, "term-FISAPT_CHARGE_COMPLETENESS-FISAPT", true]], "fisapt_cube_densmat (fisapt)": [[1685, "term-FISAPT_CUBE_DENSMAT-FISAPT", true]], "fisapt_cube_linkibos (fisapt)": [[1685, "term-FISAPT_CUBE_LINKIBOS-FISAPT", true]], "fisapt_cube_linkihos (fisapt)": [[1685, "term-FISAPT_CUBE_LINKIHOS-FISAPT", true]], "fisapt_do_fsapt (fisapt)": [[1685, "term-FISAPT_DO_FSAPT-FISAPT", true]], "fisapt_do_fsapt_disp (fisapt)": [[1685, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1685, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1685, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1685, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1685, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1685, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1685, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1685, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1685, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1685, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1685, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[78, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[79, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1685, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[190, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1752, "index-0", false]], "fno-ccsd(t)": [[1752, "index-1", false]], "fno-mp4": [[1752, "index-1", false]], "fno-qcisd(t)": [[1752, "index-1", false]], "fnocc": [[1752, "index-2", false], [1752, "index-3", false]], "fnocc() (in module psi4.core)": [[191, "psi4.core.fnocc", false]], "follow_root (detci)": [[1685, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1685, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1685, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1685, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1685, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1685, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1685, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1685, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[85, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[85, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[85, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[85, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[85, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[85, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1685, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1685, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1685, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1685, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[85, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1685, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1685, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1685, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1685, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[80, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_core (globals)": [[1685, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1685, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1685, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1685, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1685, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1753, "index-0", false]], "freq() (in module psi4.driver)": [[301, "psi4.driver.freq", false]], "frequencies()": [[1753, "index-0", false]], "frequencies() (in module psi4.driver)": [[302, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1753, "index-0", false]], "frequency() (in module psi4.driver)": [[303, "psi4.driver.frequency", false]], "frequency();": [[1753, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[107, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[151, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1752, "index-0", false]], "frozen natural orbitals": [[1752, "index-1", false]], "frozen_bend (optking)": [[1685, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1685, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1685, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1685, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1685, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1685, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1685, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1685, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1685, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1753, "index-0", false], [1781, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[81, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[85, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[148, "psi4.core.VBase.functional", false]], "functionals": [[1765, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fZ", false], [107, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1685, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1754, "index-0", false]], "gauge (adc)": [[1685, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1685, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1685, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1750, "index-0", false]], "gaussianshell (class in psi4.core)": [[82, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[83, "psi4.core.GaussianType", false]], "gcp": [[1755, "index-0", false]], "gdma": [[1756, "index-0", false]], "gdma() (in module psi4.driver)": [[304, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1685, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1685, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1685, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1685, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1685, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1813, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1685, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1781, "index-0", false], [1783, "index-1", false], [1783, "index-2", false], [1783, "index-3", false], [1783, "index-4", false]], "geometry optimization, optimization": [[1783, "index-0", false]], "geometry() (in module psi4.driver)": [[305, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[84, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[149, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[192, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[193, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[194, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[148, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[115, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[115, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[195, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[115, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[196, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[197, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[115, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[115, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[198, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[199, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[306, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[148, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[200, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[201, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[202, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[203, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[115, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[204, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[205, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[206, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[87, "psi4.core.IO.getpid", false]], "ghost": [[1814, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1814, "index-3", false]], "gibbs free energy": [[1757, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1757, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[207, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1781, "index-0", false]], "gradient() (in module psi4.driver)": [[307, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1685, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1757, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1757, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1757, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[148, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1685, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[85, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1685, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1685, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1685, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1685, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1685, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1685, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1685, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1685, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1685, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1685, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1685, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1824, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1819, "index-0", false]], "has_array_variable() (in module psi4.core)": [[208, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[209, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[210, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[211, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[212, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[213, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1685, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1685, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1685, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1685, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1685, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1685, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1685, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1685, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1685, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1685, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1753, "index-0", false]], "hessian() (in module psi4.driver)": [[308, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1685, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1819, "index-0", false]], "hf (class in psi4.core)": [[85, "psi4.core.HF", false]], "hf dipole gradient": [[1757, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1757, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1757, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1757, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1757, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1757, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1757, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1818, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.hold_options_state", false]], "host": [[1719, "index-21", false], [1719, "index-23", false], [1748, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1685, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[86, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.identity", false]], "idfmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Idfmo", false]], "imo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Imo", false]], "import_ignorecase() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1685, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1685, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1685, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1685, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[149, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[214, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[93, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1719, "index-0", false]], "intcos_generate_exit (optking)": [[1685, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1685, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1685, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[90, "psi4.core.IntegralFactory", false]], "integrals": [[1764, "index-0", false], [1820, "index-0", false]], "integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals", false]], "integrals_erf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erf", false]], "integrals_erfc() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erfc", false]], "integraltransform (class in psi4.core)": [[91, "psi4.core.IntegralTransform", false]], "interfrag_collinear_tol (optking)": [[1685, "term-INTERFRAG_COLLINEAR_TOL-OPTKING", true]], "interfrag_coords (optking)": [[1685, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1685, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1685, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1685, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1685, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1685, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1685, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1685, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1685, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1685, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1685, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1685, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1685, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1685, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1685, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[89, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[87, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[88, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[89, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1685, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[309, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1749, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1783, "index-2", false]], "irc_direction (optking)": [[1685, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1685, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1685, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[92, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1780, "index-1", false]], "isotope": [[1814, "index-4", false]], "isotopes": [[1814, "index-4", false]], "isotropic_pol (pe)": [[1685, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1685, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[85, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[93, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[93, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[85, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1685, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[93, "psi4.core.JK.K", false]], "keywords": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1685, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[94, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[96, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1757, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1757, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1757, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1757, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1757, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1757, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1757, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1752, "index-1", false]], "lccsd (+lmp2) total energy": [[1757, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd 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"term-LEVEL_SHIFT-MCSCF", true]], "level_shift (occ)": [[1685, "term-LEVEL_SHIFT-OCC", true]], "level_shift (scf)": [[1685, "term-LEVEL_SHIFT-SCF", true]], "level_shift_cutoff (scf)": [[1685, "term-LEVEL_SHIFT_CUTOFF-SCF", true]], "levenshtein() (in module psi4.driver)": [[310, "psi4.driver.levenshtein", false]], "levenshtein() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.levenshtein", false]], "libecpint": [[1746, "index-0", false]], "libefp": [[1763, "index-0", false]], "libint": [[1764, "index-0", false]], "libint2_configuration() (in module psi4.driver)": [[311, "psi4.driver.libint2_configuration", false]], "libint2_configuration() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_configuration", false]], "libint2_print_out() (in module psi4.driver)": [[312, "psi4.driver.libint2_print_out", false]], "libint2_print_out() (in module psi4.driver.p4util)": [[363, "psi4.driver.p4util.libint2_print_out", false]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[215, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1763, "index-1", false], [1763, "index-5", false]], "libxc": [[1765, "index-0", false]], "libxcfunctional (class in psi4.core)": [[97, "psi4.core.LibXCFunctional", false]], "license": [[1762, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light", false]], "light_color (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light_color", false]], "linear (ccresponse)": [[1685, "term-LINEAR-CCRESPONSE", true]], "lineq_solver (dfocc)": [[1685, "term-LINEQ_SOLVER-DFOCC", true]], "lineshape (class in psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lineshape", false]], "lineshape() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.lineshape", false]], "lineshape() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.lineshape", false]], "lineshape() 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"term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1685, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1685, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1685, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1685, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1685, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1685, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles (cceom)": [[1685, "term-LOCAL_DO_SINGLES-CCEOM", true]], "local_filter_singles (cceom)": [[1685, "term-LOCAL_FILTER_SINGLES-CCEOM", true]], "local_filter_singles (cclambda)": [[1685, "term-LOCAL_FILTER_SINGLES-CCLAMBDA", true]], "local_filter_singles (ccresponse)": [[1685, "term-LOCAL_FILTER_SINGLES-CCRESPONSE", true]], "local_ibo_condition (fisapt)": [[1685, "term-LOCAL_IBO_CONDITION-FISAPT", true]], "local_ibo_power (fisapt)": [[1685, "term-LOCAL_IBO_POWER-FISAPT", true]], "local_ibo_stars (fisapt)": [[1685, "term-LOCAL_IBO_STARS-FISAPT", true]], "local_ibo_stars_completeness (fisapt)": [[1685, "term-LOCAL_IBO_STARS_COMPLETENESS-FISAPT", true]], "local_ibo_use_stars (fisapt)": [[1685, "term-LOCAL_IBO_USE_STARS-FISAPT", true]], "local_maxiter (dlpno)": [[1685, "term-LOCAL_MAXITER-DLPNO", true]], "local_maxiter (fisapt)": [[1685, "term-LOCAL_MAXITER-FISAPT", true]], "local_maxiter (scf)": [[1685, "term-LOCAL_MAXITER-SCF", true]], "local_method (ccenergy)": [[1685, "term-LOCAL_METHOD-CCENERGY", true]], "local_method (cceom)": [[1685, "term-LOCAL_METHOD-CCEOM", true]], "local_method (cclambda)": [[1685, "term-LOCAL_METHOD-CCLAMBDA", true]], "local_method (ccresponse)": [[1685, "term-LOCAL_METHOD-CCRESPONSE", true]], "local_pairdef (ccenergy)": [[1685, "term-LOCAL_PAIRDEF-CCENERGY", true]], "local_pairdef (cclambda)": [[1685, "term-LOCAL_PAIRDEF-CCLAMBDA", true]], "local_pairdef (ccresponse)": [[1685, "term-LOCAL_PAIRDEF-CCRESPONSE", true]], "local_preconditioner (cceom)": [[1685, "term-LOCAL_PRECONDITIONER-CCEOM", true]], "local_use_ghosts (fisapt)": [[1685, "term-LOCAL_USE_GHOSTS-FISAPT", true]], "local_weakp (ccenergy)": [[1685, "term-LOCAL_WEAKP-CCENERGY", true]], "local_weakp (cceom)": [[1685, "term-LOCAL_WEAKP-CCEOM", true]], "local_weakp (cclambda)": [[1685, "term-LOCAL_WEAKP-CCLAMBDA", true]], "local_weakp (ccresponse)": [[1685, "term-LOCAL_WEAKP-CCRESPONSE", true]], "localize() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.localize", false]], "localize() (psi4.core.localizer method)": [[98, "psi4.core.Localizer.localize", false]], "localizer (class in psi4.core)": [[98, "psi4.core.Localizer", false]], "location (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.location", false]], "lock_singlet (psimrcc)": [[1685, "term-LOCK_SINGLET-PSIMRCC", true]], "look_at (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.look_at", false]], "lorentzian (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.Lorentzian", false]], "lowdin charges": [[1757, "psivar-LOWDIN-CHARGES", false]], "lowertriangle (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.LowerTriangle", false]], "ls_thc_basis_tolerance (globals)": [[1685, "term-LS_THC_BASIS_TOLERANCE-GLOBALS", true]], "ls_thc_computer (class in psi4.core)": [[95, "psi4.core.LS_THC_Computer", false]], "ls_thc_df (globals)": [[1685, "term-LS_THC_DF-GLOBALS", true]], "ls_thc_pruning_scheme (globals)": [[1685, "term-LS_THC_PRUNING_SCHEME-GLOBALS", true]], "ls_thc_radial_points (globals)": [[1685, "term-LS_THC_RADIAL_POINTS-GLOBALS", true]], "ls_thc_s_epsilon (globals)": [[1685, "term-LS_THC_S_EPSILON-GLOBALS", true]], "ls_thc_spherical_points (globals)": [[1685, "term-LS_THC_SPHERICAL_POINTS-GLOBALS", true]], "ls_thc_weights_tolerance (globals)": [[1685, "term-LS_THC_WEIGHTS_TOLERANCE-GLOBALS", true]], "lsda_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.lsda_cutoff", false]], "lse (detci)": [[1685, "term-LSE-DETCI", true]], "lse_collapse (detci)": [[1685, "term-LSE_COLLAPSE-DETCI", true]], "lse_tolerance (detci)": [[1685, "term-LSE_TOLERANCE-DETCI", true]], "madmp2_sleep (dfmp2)": [[1685, "term-MADMP2_SLEEP-DFMP2", true]], "make_filename() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.make_filename", false]], "managedmethoderror": [[269, "psi4.driver.ManagedMethodError", false]], "mark_file_for_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.mark_file_for_retention", false]], "mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.mass", false]], "mass_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.mass_number", false]], "mat2arr() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.mat2arr", false]], "mat_num_column_print (globals)": [[1685, "term-MAT_NUM_COLUMN_PRINT-GLOBALS", true]], "math_root": [[1719, "envvar-MATH_ROOT", false]], 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"term-MAX_NUM_VECS-DETCI", true]], "max_points() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.max_points", false]], "max_points() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.max_points", false]], "max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.max_points", false]], "max_radial_moment (globals)": [[1685, "term-MAX_RADIAL_MOMENT-GLOBALS", true]], "maximum() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.maximum", false]], "maximum() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[326, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1685, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1685, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1685, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1685, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1685, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1685, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1685, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1685, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1685, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1685, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1685, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1685, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1685, "term-MAXITER-SCF", true]], "maxr() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.maxR", false]], "mayer indices": [[1757, "psivar-MAYER-INDICES", false]], "mbis": [[1780, "index-1", false]], "mbis charges": [[1757, "psivar-MBIS-CHARGES", false]], "mbis dipoles": [[1757, "psivar-MBIS-DIPOLES", false]], "mbis free atom n volume": [[1757, "psivar-MBIS-FREE-ATOM-n-VOLUME", false]], "mbis octupoles": [[1757, "psivar-MBIS-OCTUPOLES", false]], "mbis quadrupoles": [[1757, "psivar-MBIS-QUADRUPOLES", false]], "mbis radial moments <r^3>": [[1757, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence widths": [[1757, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1757, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1685, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1685, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1685, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1685, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1685, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1770, "index-0", false], [1770, "index-1", false]], "mcscf total energy": [[1757, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[216, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1685, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1685, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1685, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1685, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1685, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1685, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1685, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1685, "term-MCSCF_E_CONVERGENCE-DETCI", true]], "mcscf_guess (detci)": [[1685, "term-MCSCF_GUESS-DETCI", true]], "mcscf_max_rot (detci)": [[1685, "term-MCSCF_MAX_ROT-DETCI", true]], "mcscf_maxiter (detci)": [[1685, "term-MCSCF_MAXITER-DETCI", true]], "mcscf_object() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.mcscf_object", false]], "mcscf_r_convergence (detci)": [[1685, "term-MCSCF_R_CONVERGENCE-DETCI", true]], "mcscf_rotate (detci)": [[1685, "term-MCSCF_ROTATE-DETCI", true]], "mcscf_so_start_e (detci)": [[1685, "term-MCSCF_SO_START_E-DETCI", true]], "mcscf_so_start_grad (detci)": [[1685, "term-MCSCF_SO_START_GRAD-DETCI", true]], "mcscf_type (detci)": [[1685, "term-MCSCF_TYPE-DETCI", true]], "mdi_run() (in module psi4.driver)": [[313, "psi4.driver.mdi_run", false]], "memdfjk (class in psi4.core)": [[103, "psi4.core.MemDFJK", false]], "memory": [[1813, "index-1", false]], "memory_estimate() (psi4.core.jk method)": [[93, "psi4.core.JK.memory_estimate", false]], "message (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.message", false]], "message (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.message", false]], "message (psi4.driver.missingmethoderror attribute)": [[270, "psi4.driver.MissingMethodError.message", false]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.message", false]], "message (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.message", false]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.message", false]], "message (psi4.driver.testcomparisonerror attribute)": [[279, "psi4.driver.TestComparisonError.message", false]], "message (psi4.driver.validationerror attribute)": [[281, "psi4.driver.ValidationError.message", false]], "message_box() (in module psi4.driver)": [[314, "psi4.driver.message_box", false]], "message_box() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.message_box", false]], "meta_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.meta_cutoff", false]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.metadata", false]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.metameta", false]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta", false]], "method (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.method", false]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.method", false]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.method", false]], "method (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.method", false]], "method alias": [[1815, "index-0", false]], "metric() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.metric", false]], "metric_inv() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.metric_inv", false]], "min_ccd_diisvecs (sapt)": [[1685, "term-MIN_CCD_DIISVECS-SAPT", true]], "minao_basis (fisapt)": [[1685, "term-MINAO_BASIS-FISAPT", true]], "minima": [[1783, "index-1", false]], "mintshelper (class in psi4.core)": [[104, "psi4.core.MintsHelper", false]], "mintshelper() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.mintshelper", false]], "mintshelper() (psi4.core.rhf method)": [[129, "psi4.core.RHF.mintshelper", false]], "mintshelper() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.mintshelper", false]], "mintshelper() (psi4.core.uhf method)": [[146, "psi4.core.UHF.mintshelper", false]], "mintshelper() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[270, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1685, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1685, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1810, "index-0", false]], "mkl_num_threads": [[1748, "envvar-MKL_NUM_THREADS", false], [1748, "index-8", false]], "mkl_root": [[1719, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1685, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() 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"psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1685, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1685, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1685, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1685, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1685, "term-MO_WRITE-OCC", true]], "module": [[1753, "module-psi4.driver.qcdb.vib", false], [1808, "module-psi4.core", false], [1808, "module-psi4.driver", false], [1808, "module-psi4.driver.p4util", false]], "module (cphf)": [[1685, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1685, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1772, "index-0", false]], "molden() (in module psi4.driver)": [[315, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1685, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1685, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1685, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[105, "psi4.core.MoldenWriter", false]], 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(psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1763, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[317, "psi4.driver.molecule_set_attr", false]], "mom": [[1819, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1685, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1685, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1685, "term-MOM_VIR-SCF", true]], "montage": [[1731, "envvar-MONTAGE", false], [1731, "index-2", false]], "mospace (class in psi4.core)": [[99, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[100, "psi4.core.MOWriter", false]], "mp2": [[1737, "index-0", false]], "mp2 alpha-alpha pair energies": [[1757, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1757, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1757, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1757, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1757, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1757, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1757, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1757, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1757, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1757, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1757, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1757, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1757, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1757, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1757, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1757, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1757, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1757, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1757, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1757, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1685, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1685, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1685, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1685, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1685, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1685, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1685, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1685, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1685, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1685, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1685, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1685, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1685, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1685, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1685, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1685, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1685, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1685, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1685, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1757, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1757, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1757, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1757, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1757, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1757, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1752, "index-1", false]], "mp4 correlation energy": [[1757, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1757, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1757, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1757, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1757, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1757, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1757, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1685, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1685, "term-MPN-DETCI", true]], "mpn correlation energy": [[1757, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1757, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1685, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1685, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1685, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1773, "index-0", false]], "mrcc total energy": [[1757, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[217, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1685, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[218, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1685, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1685, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1685, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1685, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1685, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1685, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1757, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1685, "term-MS0-DETCI", true]], "mtd 128-pole": [[1757, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1757, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1757, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1757, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1757, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1757, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1757, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1757, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1770, "index-2", false]], "multiple fragments": [[1814, "index-7", false]], "multiple in input file": [[1814, "index-1", false]], "multiple within molecule": [[1711, "index-1", false]], "multiplicity": [[1814, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[108, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[109, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1810, "index-0", false]], "n() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.n", false]], "n() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.n", false]], "n_ecp_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_core", false]], "n_ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_shell_on_center", false]], "n_frozen_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_frozen_core", false]], "nablaint (class in psi4.core)": [[110, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nalphapi", false]], "name (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.name", false]], "name (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.name", false]], "name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[89, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[149, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[81, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[93, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1685, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1685, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1685, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1685, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1685, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1685, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1685, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1757, "psivar-NAUX-CC", false]], "naux (scf)": [[1757, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[148, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1757, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1757, "psivar-NBODY-NUMBER", false]], "nbody() (in 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"term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[149, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1685, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1685, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1814, "index-2", false]], "no_singles (psimrcc)": [[1685, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1685, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[149, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[149, "psi4.core.Vector.np_read", false]], "np_write() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.np_write", false]], "np_write() (psi4.core.vector method)": [[149, "psi4.core.Vector.np_write", false]], "nph (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.nph", false]], "nph (psi4.core.vector attribute)": [[149, "psi4.core.Vector.nph", false]], "npoints() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.npoints", false]], "npoints() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.npoints", false]], "nprimitive (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.nprimitive", false]], "nprimitive() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nprimitive", false]], "nshell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell", false]], "nshell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell_on_center", false]], "nso() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1757, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_repulsion_energy_deriv1", false]], "nuclear_repulsion_energy_deriv2() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_repulsion_energy_deriv2", false]], "num_amps_print (ccenergy)": [[1685, "term-NUM_AMPS_PRINT-CCENERGY", true]], "num_amps_print (cceom)": [[1685, "term-NUM_AMPS_PRINT-CCEOM", true]], "num_amps_print (cclambda)": [[1685, "term-NUM_AMPS_PRINT-CCLAMBDA", true]], "num_amps_print (ccresponse)": [[1685, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1685, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1685, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1685, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1685, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1685, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1685, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1685, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1685, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[111, "psi4.core.NumIntHelper", false]], "numpy": [[1778, "index-0", false]], "occ() (in module psi4.core)": [[219, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1685, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1685, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1685, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1685, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1685, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1757, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1757, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1685, "term-ODC_GUESS-DCT", true]], "oeprop": [[1780, "index-0", false]], "oeprop (class in psi4.core)": [[112, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1685, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1685, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[318, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1685, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1779, "index-1", false], [1779, "index-5", false]], "olccd correlation energy": [[1757, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1757, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1757, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1757, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1757, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1757, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1757, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1685, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[81, "psi4.core.Functional.omega", false]], "omega_erf (mints)": [[1685, "term-OMEGA_ERF-MINTS", true]], "omp2": [[1779, "index-1", false], [1779, "index-2", false]], "omp2 correlation energy": [[1757, "psivar-OMP2-CORRELATION-ENERGY", false]], "omp2 doubles energy": [[1757, "psivar-OMP2-DOUBLES-ENERGY", false]], "omp2 opposite-spin correlation energy": [[1757, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2 reference correction energy": [[1757, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", false]], "omp2 same-spin correlation energy": [[1757, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1757, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1779, "index-4", false]], "omp2.5 correlation energy": [[1757, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1757, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1757, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference correction energy": [[1757, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", false]], "omp2.5 same-spin correlation energy": [[1757, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2.5 total energy": [[1757, "psivar-OMP2.5-TOTAL-ENERGY", false]], "omp3": [[1779, "index-1", false], [1779, "index-3", false]], "omp3 correlation energy": [[1757, "psivar-OMP3-CORRELATION-ENERGY", false]], "omp3 doubles energy": [[1757, "psivar-OMP3-DOUBLES-ENERGY", false]], "omp3 opposite-spin correlation energy": [[1757, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1757, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1757, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1757, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1737, "index-2", false], [1737, "index-3", false], [1748, "envvar-OMP_NESTED", false]], "omp_num_threads": [[662, "index-0", false], [1207, "index-0", false], [1225, "index-0", false], [1241, "index-0", false], [1685, "index-0", false], [1685, "index-1", false], [1724, "index-9", false], [1748, "envvar-OMP_NUM_THREADS", false], [1748, "index-14", false], [1748, "index-7", false]], "one-electron energy": [[1757, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[113, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[114, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1685, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1685, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1685, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1685, "term-OPDM-DCT", true]], "opdm (detci)": [[1685, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1685, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1685, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1685, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[87, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[87, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1781, "index-0", false]], "opt() (in module psi4.driver)": [[319, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1685, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1685, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1685, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1685, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1685, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1757, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[271, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1781, "index-0", false]], "optimize() (in module psi4.driver)": [[320, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[321, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[220, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[115, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[221, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[329, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1685, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1685, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1685, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1685, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1779, "index-1", false]], "orbital-optimized methods, olccd": [[1779, "index-0", false]], "orbital-optimized methods, omp2": [[1779, "index-0", false]], "orbital-optimized methods, omp2.5": [[1779, "index-0", false]], "orbital-optimized methods, omp3": [[1779, "index-0", false]], "orbital_level_shift (dct)": [[1685, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1685, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[116, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1779, "index-6", false]], "oremp2 correlation energy": [[1757, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1757, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1757, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1757, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1757, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1757, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1757, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1685, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1685, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1685, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[222, "psi4.core.outfile_name", false]], "output": [[1721, "index-2", false], [1733, "index-3", false], [1783, "index-4", false], [1818, "index-5", false], [1824, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.overlap", false]], "overlap_3c() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.overlap_3c", false]], "overlap_check (cceom)": [[1685, "term-OVERLAP_CHECK-CCEOM", true]], "overlap_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.overlap_grad", false]], "overlapint (class in psi4.core)": [[117, "psi4.core.OverlapInt", false]], "owner_group (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.owner_group", false]], "p (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.p", false]], "p (thermo)": [[1685, "term-P-THERMO", true]], "pair_energies_print (ccenergy)": [[1685, "term-PAIR_ENERGIES_PRINT-CCENERGY", true]], "parallel (scf)": [[1685, "term-PARALLEL-SCF", true]], "parallel operation": [[1748, "index-6", false]], "parent_atom() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.parent_atom", false]], "parent_symmetry (globals)": [[1685, "term-PARENT_SYMMETRY-GLOBALS", true]], "parsingerror": [[272, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[273, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [107, "index-0", false], [1719, "index-1", false], [1719, "index-10", false], [1719, "index-11", false], [1719, "index-12", false], [1719, "index-13", false], [1719, "index-14", false], [1719, "index-15", false], [1719, "index-16", false], [1719, "index-17", false], [1719, "index-18", false], [1719, "index-19", false], [1719, "index-24", false], [1719, "index-25", false], [1719, "index-26", false], [1719, "index-5", false], [1719, "index-7", false], [1724, "index-1", false], [1724, "index-3", false], [1724, "index-5", false], [1724, "index-7", false], [1729, "index-0", false], [1729, "index-3", false], [1729, "index-5", false], [1729, "index-6", false], [1729, "index-7", false], [1740, "index-1", false], [1748, "envvar-PATH", false], [1748, "index-17", false], [1748, "index-18", false], [1755, "index-1", false], [1755, "index-2", false], [1773, "index-1", false]], "pbs queueing system": [[1748, "index-9", false]], "pcg_beta_type (dfocc)": [[1685, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1685, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1685, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1685, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1685, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1685, "term-PCG_MAXITER-OCC", true]], "pcm": [[1735, "index-0", false], [1784, "index-0", false], [1784, "index-1", false]], "pcm (globals)": [[1685, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1757, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1685, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.PCM_enabled", false]], "pcm_helper() (in module psi4.driver)": [[380, "psi4.driver.pcm_helper", false]], "pcm_helper() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.pcm_helper", false]], "pcm_scf_type (pcm)": [[1685, "term-PCM_SCF_TYPE-PCM", true]], "pcmsolver": [[1784, "index-0", false]], "pcmsolver_parsed_fname (pcm)": [[1685, "term-PCMSOLVER_PARSED_FNAME-PCM", true]], "pe": [[1730, "index-0", false], [1730, "index-1", false]], "pe (globals)": [[1685, "term-PE-GLOBALS", true]], "pe energy": [[1757, "psivar-PE-ENERGY", false]], "pe_ecp (pe)": [[1685, "term-PE_ECP-PE", true]], "pep1": [[1785, "index-0", false]], "perturb_cbs (psimrcc)": [[1685, "term-PERTURB_CBS-PSIMRCC", true]], "perturb_cbs_coupling (psimrcc)": [[1685, "term-PERTURB_CBS_COUPLING-PSIMRCC", true]], "perturb_dipole (scf)": [[1685, "term-PERTURB_DIPOLE-SCF", true]], "perturb_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1685, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1685, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1685, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1685, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[133, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[119, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1685, "term-PHI_POINTS-SCF", true]], "physconst": [[1687, "index-0", false]], "physical constants": [[1813, "index-0", false]], "pitzer_to_ci_order_onel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_onel", false]], "pitzer_to_ci_order_twoel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_twoel", false]], "pk_all_nonsym (scf)": [[1685, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1685, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1749, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.play", false]], "plugin": [[1788, "index-0", false]], "plugin() (in module psi4.core)": [[223, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[224, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[225, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[226, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[118, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1685, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[120, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[121, "psi4.core.PointGroup", false]], "points (findif)": [[1685, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[276, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[122, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1685, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1685, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1685, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[227, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1719, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[123, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1685, "term-PRINT-CPHF", true]], "print (efp)": [[1685, "term-PRINT-EFP", true]], "print (globals)": [[1685, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1685, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1685, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[81, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.print_detail", false]], "print_detail_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_detail_out", false]], "print_distances() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.print_energies", false]], "print_energy() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_energy", false]], "print_global_options() (in module psi4.core)": [[228, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[115, "psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[85, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[93, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[148, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[115, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1685, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1685, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1685, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[229, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[230, "psi4.core.print_out", false]], "print_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_out", false]], "print_out() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.print_out", false]], "print_out() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.print_out", false]], "print_out() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.print_out", false]], "print_out() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.print_out", false]], "print_out() (psi4.core.dispersion 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"psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[268, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[85, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[77, 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"repl_otf (detci)": [[1685, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1685, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1748, "index-0", false]], "restart (ccenergy)": [[1685, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1685, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1685, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1685, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1685, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[328, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[327, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1685, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1685, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[237, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1685, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1685, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1685, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[129, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1685, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[130, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1685, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1685, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[131, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1685, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1685, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1685, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1685, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1685, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1685, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1685, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1685, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1685, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rows", false]], "rpa": [[1822, "index-0", false]], "rsrfo_alpha_max (optking)": [[1685, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1685, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1685, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1685, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1724, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1755, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1685, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1685, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1685, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1685, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1685, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1685, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1685, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1685, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1685, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1685, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1685, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1685, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1685, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1685, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1685, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1685, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[132, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[135, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[392, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[393, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1685, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1818, "index-0", false], [1818, "index-1", false], [1818, "index-2", false], [1818, "index-3", false], [1818, "index-4", false], [1818, "index-5", false]], "sapt (scf)": [[1685, "term-SAPT-SCF", true]], "sapt alpha": [[1757, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1757, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1757, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1757, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1757, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1757, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1757, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1757, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1757, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1757, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1757, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1757, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1757, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1757, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1757, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1757, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1757, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1757, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1757, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1757, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1757, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1757, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1757, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1757, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1757, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1757, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1757, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1757, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1757, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1757, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1757, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1757, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1757, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1757, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1757, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1757, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1757, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1757, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1757, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1757, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1757, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1757, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1757, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[238, "psi4.core.sapt", false]], "sapt(dft)": [[1818, "index-2", false]], "sapt0": [[1818, "index-1", false]], "sapt0 disp energy": [[1757, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1757, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1757, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1757, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1757, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1685, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1685, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1685, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1757, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1757, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1757, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1757, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1757, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1757, "psivar-1", false]], "sapt2+ elst energy": [[1757, "psivar-2", false]], "sapt2+ exch energy": [[1757, "psivar-3", false]], "sapt2+ ind energy": [[1757, "psivar-4", false]], "sapt2+ total energy": [[1757, "psivar-9", false]], "sapt2+(3) disp energy": [[1757, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1757, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1757, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1757, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1757, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1757, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1757, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1757, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1757, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1757, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1757, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1757, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1757, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1757, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1757, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1757, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1757, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1757, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1757, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1757, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1757, "psivar-5", false]], "sapt2+3 elst energy": [[1757, "psivar-6", false]], "sapt2+3 exch energy": [[1757, "psivar-7", false]], "sapt2+3 ind energy": [[1757, "psivar-8", false]], "sapt2+3 total energy": [[1757, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1757, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1757, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1757, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1757, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1757, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1757, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1757, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1757, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1757, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1757, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1757, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1757, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1757, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1757, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1757, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1757, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1757, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1757, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1757, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1757, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1685, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1685, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1685, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1685, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1685, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1685, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1685, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1685, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1685, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1685, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1685, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1685, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1685, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[149, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1685, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1685, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1685, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[136, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[239, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[240, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[149, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[241, "psi4.core.scatter", false]], "scf": [[1819, "index-0", false], [1819, "index-1", false]], "scf dipole": [[1757, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1757, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1757, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1757, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1757, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1757, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1757, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1757, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[394, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1685, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1685, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1685, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1685, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1685, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1685, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1685, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1685, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[85, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[395, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[277, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[242, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[243, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1685, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.scramble", false]], "scratch files": [[1748, "index-0", false]], "screening (globals)": [[1685, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1757, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1757, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1757, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1757, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1757, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1757, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1757, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1757, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1757, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1757, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1757, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1757, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1757, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1757, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1757, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1757, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1685, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1685, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1685, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1685, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1685, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1685, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1685, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1757, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1757, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1685, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1685, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1685, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1685, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1685, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1685, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1685, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[85, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[149, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[244, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.set_ansatz", false]], "set_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_AO_core", false]], "set_array() (psi4.core.options method)": [[115, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[245, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[115, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[115, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[93, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[246, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[115, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[85, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[247, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[248, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[115, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[249, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[250, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[396, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[93, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[251, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[397, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[252, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[398, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1749, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[253, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[87, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[93, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[254, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[115, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[255, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[115, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[115, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[256, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.setName", false]], "setting": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "setting keywords": [[1779, "index-2", false], [1779, "index-3", false], [1779, "index-4", false], [1779, "index-5", false], [1779, "index-6", false]], "sf_restrict (detci)": [[1685, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[149, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[87, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[88, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.erisieve method)": [[70, "psi4.core.ERISieve.shell_significant", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[144, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[145, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[137, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1721, "psi4.driver.aliases.sherrill_gold_standard", false]], "shift() (psi4.core.civector method)": [[12, "psi4.core.CIVector.shift", false]], "sigma() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.sigma", false]], "sigma_overlap (detci)": [[1685, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1820, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1747, "index-0", false]], "singles_print (cceom)": [[1685, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[138, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1685, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1787, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[133, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1685, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1685, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1685, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1685, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1685, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1685, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1685, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1685, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1685, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1685, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1685, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[330, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[134, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1757, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1757, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1757, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1757, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1757, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1757, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1757, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1757, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1685, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1685, "term-SOS_TYPE-OCC", true]], "soscf": [[1819, "index-3", false]], "soscf (scf)": [[1685, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1685, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1685, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1685, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1685, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1685, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[85, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.sotoao", false]], "specification": [[1814, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1736, "index-3", false]], "spin_scale_type (occ)": [[1685, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1685, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1685, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1685, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1685, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1685, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1757, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1757, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1757, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1757, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1757, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1685, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1685, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1685, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1685, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1685, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1685, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1685, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1685, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1685, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[87, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[379, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1685, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1749, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1685, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[139, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[92, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1685, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1814, "index-2", false], [1814, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[140, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1685, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1685, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1685, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1685, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1685, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1685, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1685, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1685, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1685, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1685, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1685, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1685, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1685, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1822, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (h) -> root n (i) excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (vel)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 -> root n electric transition dipole moment (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1822, "index-0", false]], "tddft": [[1822, "index-0", false]], "tdm (detci)": [[1685, "term-TDM-DETCI", true]], "tdscf": [[1822, "index-0", false], [1822, "index-1", false]], "tdscf() (in module psi4.driver)": [[399, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1685, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1685, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1685, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1685, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1685, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1685, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1685, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1685, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1685, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[278, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1685, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1685, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[257, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[279, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1757, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [285, "index-0", false], [1721, "index-1", false], [1722, "index-0", false], [1723, "index-0", false], [1734, "index-0", false], [1736, "index-1", false], [1737, "index-1", false], [1738, "index-0", false], [1744, "index-1", false], [1751, "index-0", false], [1770, "index-1", false], [1779, "index-1", false], [1780, "index-0", false], [1818, "index-0", false], [1819, "index-1", false], [1822, "index-1", false]], "thermal energy": [[1757, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1757, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[391, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1685, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1685, "term-THICKNESS-SCF", true]], "threading": [[1748, "index-6", false], [1748, "index-9", false]], "three_particle (dct)": [[1685, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[142, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1685, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1685, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1685, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1685, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1685, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[258, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[259, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[141, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[87, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[87, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[87, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[87, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[87, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1685, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1685, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[143, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transform", false]], "transform() 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"term-UHF_NOONS-SCF", true]], "uksfunctions (class in psi4.core)": [[147, "psi4.core.UKSFunctions", false]], "uncp-corrected 2-body interaction energy": [[1757, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "unify() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify", false]], "unify_part2() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify_part2", false]], "unit() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.unit", false]], "units": [[1814, "index-2", false]], "units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.units", false]], "unnormalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Unnormalized", false]], "up (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.up", false]], "update (detci)": [[1685, "term-UPDATE-DETCI", true]], "update() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.update", false]], "update_density() (psi4.core.twobodyaoint 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"term-VAL_EX_LEVEL-DETCI", true]], "valid_methods (psi4.core.oeprop attribute)": [[112, "psi4.core.OEProp.valid_methods", false]], "validate_diis() (psi4.core.hf method)": [[85, "psi4.core.HF.validate_diis", false]], "validate_options() (psi4.core.options method)": [[115, "psi4.core.Options.validate_options", false]], "validationerror": [[281, "psi4.driver.ValidationError", false]], "value (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.value", false]], "value (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.value", false]], "value (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.value", false]], "value (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.value", false]], "value (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.value", false]], "value (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.value", false]], "value (psi4.core.psireturntype attribute)": [[127, 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9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1757, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1757, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1757, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1757, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1757, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1757, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1748, 10, 1, "-", "CONDA_PREFIX"], [1757, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1719, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1719, 10, 1, "-", "CRAY_ADD_RPATH"], [1757, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1757, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1757, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1757, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1757, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL 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"psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1757, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1757, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1757, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1757, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1757, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1757, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1757, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1757, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1757, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1757, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1757, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1757, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1757, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1757, 9, 1, "-", "ENTHALPY"], [1757, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1757, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1757, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1757, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1757, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1757, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1757, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1757, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1757, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1757, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1748, 10, 1, "-", "HOST"], [1757, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1719, 10, 1, "-", "MATH_ROOT"], [1757, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1757, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1757, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1757, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1757, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1757, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1757, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1757, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1757, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1757, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1748, 10, 1, "-", "MKL_NUM_THREADS"], [1719, 10, 1, "-", "MKL_ROOT"], [1731, 10, 1, "-", "MONTAGE"], [1757, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1757, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1757, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1757, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1757, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1757, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1757, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1757, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1757, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1757, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1757, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1757, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1757, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1748, 10, 1, "-", "OMP_NESTED"], [1748, 10, 1, "-", "OMP_NUM_THREADS"], [1757, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1757, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1757, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1748, 10, 1, "-", "PATH"], [1757, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1757, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1748, 10, 1, "-", "PSIDATADIR"], [1748, 10, 1, "-", "PSIPATH"], [1748, 10, 1, "-", "PSI_SCRATCH"], [1748, 10, 1, "-", "PYTHONPATH"], [1757, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1757, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1757, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1757, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1757, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1757, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1757, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1757, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1757, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1757, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1757, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1757, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1757, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1757, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1757, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1757, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1757, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1757, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1757, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1757, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1757, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1757, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], 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by M. F. Herbst and M. Scheurer", "Test Suite", "AOShellCombinationsIterator", "AngularMomentumInt", "BSVec", "BasisExtents", "BasisFunctions", "BasisSet", "BlockOPoints", "BoysLocalizer", "CCWavefunction", "CIVector", "CIWavefunction", "CUHF", "CdSalc", "CdSalcList", "CharacterTable", "CompositeJK", "CorrelationFactor", "CorrelationTable", "CubeProperties", "DASUM", "DAXPY", "DCOPY", "DDOT", "DFEP2Wavefunction", "DFHelper", "DFSOMCSCF", "DFTGrid", "DFTensor", "DGBMV", "DGEEV", "DGEMM", "DGEMV", "DGER", "DGETRF", "DGETRI", "DGETRS", "DNRM2", "DPOTRF", "DPOTRI", "DPOTRS", "DROT", "DSBMV", "DSCAL", "DSWAP", "DSYEV", "DSYMM", "DSYMV", "DSYR", "DSYR2", "DSYR2K", "DSYRK", "DSYSV", "DTBMV", "DTBSV", "DTRMM", "DTRMV", "DTRSM", "DTRSV", "Deriv", "DerivCalcType", "DiagonalizeOrder", "Dimension", "DipoleInt", "DirectJK", "DiskSOMCSCF", "Dispersion", "ERI", "ERISieve", "ESPPropCalc", "ElectricFieldInt", "ElectrostaticInt", "ExternalPotential", "FCHKWriter", "FDDS_Dispersion", "FISAPT", "FittedSlaterCorrelationFactor", "FittingMetric", "FragmentType", "Functional", "GaussianShell", "GaussianType", "GeometryUnits", "HF", "IDAMAX", "IO", "IOManager", "IntVector", "IntegralFactory", "IntegralTransform", "IrreducibleRepresentation", "JK", "KineticInt", "LS_THC_Computer", "LaplaceDenominator", "LibXCFunctional", "Localizer", "MOSpace", "MOWriter", "Matrix", "MatrixFactory", "MemDFJK", "MintsHelper", "MoldenWriter", "MolecularGrid", "Molecule", "MultipoleInt", "MultipoleSymmetry", "NablaInt", "NumIntHelper", "OEProp", "OneBodyAOInt", "OneBodySOInt", "Options", "OrbitalSpace", "OverlapInt", "PMLocalizer", "PetiteList", "PointFunctions", "PointGroup", "PotentialInt", "PrimitiveType", "Prop", "ProtoIntVector", "ProtoVector", "PsiReturnType", "QuadrupoleInt", "RHF", "RKSFunctions", "ROHF", "SADGuess", "SOBasisSet", "SOMCSCF", "SalcComponent", "SaveType", "ShellInfo", "Slice", "SuperFunctional", "SymmetryOperation", "TLaplaceDenominator", "ThreeCenterOverlapInt", "TracelessQuadrupoleInt", "TwoBodyAOInt", "TwoElectronInt", "UHF", "UKSFunctions", "VBase", "Vector", "Vector3", "Wavefunction", "array_variable", "array_variables", "be_quiet", "benchmark_blas1", "benchmark_blas2", "benchmark_blas3", "benchmark_disk", "benchmark_integrals", "benchmark_math", "ccdensity", "ccenergy", "cceom", "cchbar", "cclambda", "ccresponse", "cctransort", "cctriples", "clean", "clean_options", "clean_timers", "clean_variables", "close_outfile", "dct", "del_array_variable", "del_scalar_variable", "del_variable", "detci", "dfmp2", "dfocc", "dlpno", "dmrg", "doublet", "dpdbuf4", "dpdfile2", "dummy_einsums", "dummy_integratorxx", "fcidump_tei_helper", "finalize", "flush_outfile", "fnocc", "get_active_molecule", "get_array_variable", "get_array_variables", "get_datadir", "get_global_option", "get_global_option_list", "get_local_option", "get_memory", "get_num_threads", "get_option", "get_options", "get_output_file", "get_variable", "get_variables", "get_writer_file_prefix", "git_version", "has_array_variable", "has_global_option_changed", "has_local_option_changed", "has_option_changed", "has_scalar_variable", "has_variable", "initialize", "libint2_solid_harmonics_ordering", "mcscf", "mrcc_generate_input", "mrcc_load_densities", "occ", "option_exists_in_module", "options_to_python", "outfile_name", "plugin", "plugin_close", "plugin_close_all", "plugin_load", "prepare_options_for_module", "print_global_options", "print_options", "print_out", "print_variables", "psi_top_srcdir", "psimrcc", "psio_entry", "reopen_outfile", "revoke_global_option_changed", "revoke_local_option_changed", "sapt", "scalar_variable", "scalar_variables", "scatter", "scfgrad", "scfhess", "set_active_molecule", "set_array_variable", "set_datadir", "set_global_option", "set_global_option_python", "set_local_option", "set_local_option_python", "set_memory_bytes", "set_num_threads", "set_output_file", "set_psi_file_prefix", "set_scalar_variable", "set_variable", "test_matrix_dpd_interface", "timer_off", "timer_on", "triplet", "tstart", "tstop", "variable", "variables", "version", "AtomicComputer", "ConvergenceError", "EmpiricalDispersion", "ManagedMethodError", "MissingMethodError", "OptimizationConvergenceError", "ParsingError", "PastureRequiredError", "PsiException", "QMMM", "QMMMbohr", "SCFConvergenceError", "TDSCFConvergenceError", "TestComparisonError", "UpgradeHelper", "ValidationError", "activate", "banner", "basis_helper", "cbs", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "create_plugin", "cubeprop", "docs_table_link", "dynamic_variable_bind", "energies_from_fcidump", "energy", "fchk", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "freq", "frequencies", "frequency", "gdma", "geometry", "get_memory", "gradient", "hessian", "ipi_broker", "levenshtein", "libint2_configuration", "libint2_print_out", "mdi_run", "message_box", "molden", "molecule_get_attr", "molecule_set_attr", "oeprop", "opt", "optimize", "optimize_geometric", "DIIS", "Gaussian", "InPsight", "Lineshape", "Lorentzian", "OptionState", "OptionsState", "OptionsStateCM", "SolverEngine", "all_casings", "array_to_matrix", "banner", "basis_helper", "block_diagonal_array", "cg_solver", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "cubeprop", "davidson_solver", "docs_table_link", "drop_duplicates", "energies_from_fcidump", "expand_psivars", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "format_molecule_for_input", "format_options_for_input", "free_atom_volumes", "get_memory", "get_psifile", "getattr_ignorecase", "hamiltonian_solver", "hold_options_state", "import_ignorecase", "kwargs_lower", "levenshtein", "libint2_configuration", "libint2_print_out", "mat2arr", "message_box", "oeprop", "pcm_helper", "plump_qcvar", "prefactor_ecd", "prefactor_opa", "prepare_options_for_modules", "prepare_options_for_set_options", "provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_ALGORITHM</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">DOI_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DOI_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DOI_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DOI_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">LS_THC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">LS_THC_DF</span>", "<span class=\"xref std std-term\">LS_THC_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">LS_THC_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_S_EPSILON</span>", "<span class=\"xref std std-term\">LS_THC_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "A24alt", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "titleterms": {"": [885, 1211, 1716, 1719, 1727, 1740, 1755, 1766, 1818], "0": 1802, "1": [1714, 1751, 1819], "2": 1769, "2nd": 1737, "3": 1769, "3rc1": 1769, "4": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1719, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 1783, 1785, 1791, 1795, 1796, 1797, 1798, 1799, 1800, 1805, 1806, 1808, 1811, 1814, 1819, 1825], "8": 1769, "82": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 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1784, 1795, 1820], "interfrag_collinear_tol": [1227, 1334], "interfrag_coord": [1227, 1335], "interfrag_dist_inv": [1227, 1336], "interfrag_hess": [1227, 1337], "interfrag_mod": [1227, 1338], "interfrag_step_limit": [1227, 1339], "interfragment_connect": [1227, 1340], "intermedi": 1689, "intermolecular": [1809, 1825], "intern": [1207, 1227, 1720, 1762], "internal_rot": [1184, 1223], "interpret": 1818, "intrafrag_hess": [1227, 1341], "intrafrag_step_limit": [1227, 1342], "intrafrag_step_limit_max": [1227, 1343], "intrafrag_step_limit_min": [1227, 1344], "intramolecular": 1751, "introduct": [1731, 1737, 1744, 1762, 1779, 1798, 1799, 1819, 1822], "ints_toler": [416, 741, 906, 1054, 1199, 1209, 1213, 1219, 1225, 1231, 1232, 1235, 1453, 1567, 1818], "intvector": 89, "invok": [1719, 1812], "io": 87, "iomanag": 88, "ip": [1738, 1786], "ip_pol": [1226, 1265], "ipi_brok": 309, "irc_direct": [1227, 1345], "irc_point": [1227, 1346], "irc_step_s": [1227, 1347], "irreduc": 1814, 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1232, 1572], "local_method": [445, 483, 522, 546, 1200, 1201, 1203, 1204], "local_pairdef": [446, 523, 547, 1200, 1203, 1204], "local_precondition": [484, 1201], "local_use_ghost": [1062, 1219], "local_weakp": [447, 485, 524, 548, 1200, 1201, 1203, 1204], "locat": 1767, "lock_singlet": [1230, 1413], "log": 1719, "logo": 1719, "long": [1682, 1739, 1769], "loop": 1813, "lorentzian": 326, "low": 1791, "ls_thc_basis_toler": [1132, 1222], "ls_thc_comput": 95, "ls_thc_df": [1133, 1222], "ls_thc_pruning_schem": [1134, 1222], "ls_thc_radial_point": [1135, 1222], "ls_thc_s_epsilon": [1136, 1222], "ls_thc_spherical_point": [1137, 1222], "ls_thc_weights_toler": [1138, 1222], "lse": [840, 1211], "lse_collaps": [841, 1211], "lse_toler": [842, 1211], "lto": 1727, "m": [1, 1730, 1735, 1743, 1765, 1773], "mac": 1719, "macport": 1719, "made": [1809, 1825], "madmp2_sleep": [907, 1213], "mai": 1719, "make_shar": 1802, "manag": [1717, 1767, 1768, 1790], "managedmethoderror": 269, "mani": 1752, "manipul": 1738, "manual": [1728, 1745, 1758], "map": 1745, "mark": 1802, "marqu": 1765, "mat2arr": 364, "mat_num_column_print": [1139, 1222], "math": 1745, "matric": 1211, "matrix": [101, 1727, 1762, 1778, 1791], "matrixfactori": 102, "max_attempt": [1232, 1573], "max_ccd_diisvec": [1231, 1454], "max_disp_g_converg": [1227, 1348], "max_energy_g_converg": [1227, 1349], "max_force_g_converg": [1227, 1350], "max_mem_buf": [1232, 1574], "max_mograd_converg": [931, 1214, 1226, 1267, 1779], "max_num_vec": [1, 405, 843, 1198, 1211], "max_radial_mo": [1140, 1222], "maxit": [1, 406, 448, 486, 525, 549, 742, 1063, 1081, 1186, 1198, 1200, 1201, 1203, 1204, 1209, 1219, 1220, 1223, 1229, 1230, 1231, 1232, 1389, 1414, 1455, 1575, 1723, 1730, 1752, 1818], "mbis_d_converg": [1141, 1222], "mbis_maxit": [1142, 1222], "mbis_pruning_schem": [1143, 1222], "mbis_radial_point": [1144, 1222], "mbis_spherical_point": [1145, 1222], "mcscf": [216, 1211, 1223, 1663, 1770], "mcscf_algorithm": [844, 1211, 1770], 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\ No newline at end of file
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[[11, null]], "CC_A_RAS3_MAX": [[790, null], [1211, "cc-a-ras3-max"]], "CC_B_RAS3_MAX": [[791, null], [1211, "cc-b-ras3-max"]], "CC_DIIS_MAX_VECS": [[912, null], [1214, "cc-diis-max-vecs"]], "CC_DIIS_MIN_VECS": [[913, null], [1214, "cc-diis-min-vecs"]], "CC_EX_LEVEL": [[792, null], [1211, "cc-ex-level"]], "CC_FIX_EXTERNAL": [[793, null], [1211, "cc-fix-external"]], "CC_FIX_EXTERNAL_MIN": [[794, null], [1211, "cc-fix-external-min"]], "CC_LAMBDA": [[914, null], [1214, "cc-lambda"]], "CC_MACRO": [[795, null], [1211, "cc-macro"]], "CC_MAXITER": [[915, null], [1214, "cc-maxiter"], [1226, "cc-maxiter"], [1244, null]], "CC_MIXED": [[796, null], [1211, "cc-mixed"]], "CC_NUM_THREADS": [[436, null], [470, null], [565, null], [1200, "cc-num-threads"], [1201, "cc-num-threads"], [1206, "cc-num-threads"], [1230, "cc-num-threads"], [1395, null]], "CC_OS_SCALE": [[437, null], [1200, "cc-os-scale"]], "CC_RAS34_MAX": [[797, null], [1211, "cc-ras34-max"]], "CC_RAS3_MAX": [[798, null], [1211, "cc-ras3-max"]], "CC_RAS4_MAX": [[799, null], [1211, "cc-ras4-max"]], "CC_SCALE_OS": [[1068, null], [1220, "cc-scale-os"], [1752, "cc-scale-os"]], "CC_SCALE_SS": [[1069, null], [1220, "cc-scale-ss"], [1752, "cc-scale-ss"]], "CC_SS_SCALE": [[438, null], [1200, "cc-ss-scale"]], "CC_TIMINGS": [[1070, null], [1220, "cc-timings"], [1752, "cc-timings"]], "CC_TYPE": [[1107, null], [1222, "cc-type"]], "CC_UPDATE_EPS": [[800, null], [1211, "cc-update-eps"]], "CC_VAL_EX_LEVEL": [[801, null], [1211, "cc-val-ex-level"]], "CC_VARIATIONAL": [[802, null], [1211, "cc-variational"]], "CC_VECS_READ": [[803, null], [1211, "cc-vecs-read"]], "CC_VECS_WRITE": [[804, null], [1211, "cc-vecs-write"]], "CEPA_LEVEL": [[1071, null], [1220, "cepa-level"], [1752, "cepa-level"]], "CEPA_NO_SINGLES": [[1072, null], [1220, "cepa-no-singles"], [1752, "cepa-no-singles"]], "CEPA_OS_SCALE": [[1226, "cepa-os-scale"], [1246, null]], "CEPA_SOS_SCALE": [[1226, "cepa-sos-scale"], [1247, null]], "CEPA_SS_SCALE": [[1226, 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"cfour-xfield"]], "CFOUR_XFORM_TOL": [[711, null], [1207, "cfour-xform-tol"]], "CFOUR_YFIELD": [[712, null], [1207, "cfour-yfield"]], "CFOUR_ZFIELD": [[713, null], [1207, "cfour-zfield"]], "CHEMPS2": [[1693, null]], "CHOLESKY": [[916, null], [1214, "cholesky"]], "CHOLESKY_TOLERANCE": [[917, null], [1073, null], [1214, "cholesky-tolerance"], [1220, "cholesky-tolerance"], [1232, "cholesky-tolerance"], [1484, null], [1752, "cholesky-tolerance"]], "CI: Configuration Interaction": [[1736, null]], "CIBLKS_PRINT": [[808, null], [1211, "ciblks-print"]], "CIVector": [[12, null]], "CIWavefunction": [[13, null]], "CI_DIIS": [[1174, null], [1223, "ci-diis"]], "CI_FILE_START": [[805, null], [1211, "ci-file-start"]], "CI_MAXITER": [[806, null], [1211, "ci-maxiter"], [1736, "ci-maxiter"]], "CI_NUM_THREADS": [[807, null], [1211, "ci-num-threads"]], "CI_TYPE": [[1108, null], [1222, "ci-type"]], "CMakeLists.txt": [[2, "cmakelists-txt"]], "COLLAPSE_SIZE": [[809, null], [1211, "collapse-size"]], "COLLAPSE_WITH_LAST": [[471, null], [1201, "collapse-with-last"]], "COLLAPSE_WITH_LAST_CC3": [[472, null], [1201, "collapse-with-last-cc3"]], "COMPLEX_TOLERANCE": [[473, null], [1201, "complex-tolerance"]], "COMPUTE_MP4_TRIPLES": [[1074, null], [1220, "compute-mp4-triples"], [1752, "compute-mp4-triples"]], "COMPUTE_TRIPLES": [[1075, null], [1220, "compute-triples"], [1752, "compute-triples"]], "COMPUT_S2": [[918, null], [1214, "comput-s2"]], "CONSECUTIVE_BACKSTEPS": [[1227, "consecutive-backsteps"], [1303, null]], "COOKBOOK": [[1694, null]], "CORE": [[1673, "core"], [1733, "core"]], "CORR_ANSATZ": [[1230, "corr-ansatz"], [1396, null]], "CORR_CCSD_T": [[1230, "corr-ccsd-t"], [1397, null]], "CORR_CHARGE": [[1230, "corr-charge"], [1398, null]], "CORR_MULTP": [[1230, "corr-multp"], [1399, null]], "CORR_WFN": [[1230, "corr-wfn"], [1400, null]], "COSX Algorithm": [[1232, "cosx-algorithm"]], "COSX Exchange": [[1819, "cosx-exchange"]], "COSX_BASIS_TOLERANCE": [[1232, "cosx-basis-tolerance"], [1485, null]], "COSX_DENSITY_TOLERANCE": [[1232, "cosx-density-tolerance"], [1486, null]], "COSX_INTS_TOLERANCE": [[1232, "cosx-ints-tolerance"], [1487, null]], "COSX_MAXITER_FINAL": [[1232, "cosx-maxiter-final"], [1488, null]], "COSX_OVERLAP_FITTING": [[1232, "cosx-overlap-fitting"], [1489, null]], "COSX_PRUNING_SCHEME": [[1232, "cosx-pruning-scheme"], [1490, null]], "COSX_RADIAL_POINTS_FINAL": [[1232, "cosx-radial-points-final"], [1491, null]], "COSX_RADIAL_POINTS_INITIAL": [[1232, "cosx-radial-points-initial"], [1492, null]], "COSX_SPHERICAL_POINTS_FINAL": [[1232, "cosx-spherical-points-final"], [1493, null]], "COSX_SPHERICAL_POINTS_INITIAL": [[1232, "cosx-spherical-points-initial"], [1494, null]], "COUPLED_INDUCTION": [[1231, "coupled-induction"], [1439, null], [1818, "coupled-induction"], [1818, "id13"]], "COUPLING": [[1230, "coupling"], [1401, null]], "COUPLING_TERMS": [[1230, "coupling-terms"], [1402, null]], "COVALENT_CONNECT": [[1227, "covalent-connect"], [1304, null]], "CPHF": [[1208, null]], "CPHF_MEM_SAFETY_FACTOR": [[715, null], [1208, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1030, null], [1219, "cphf-r-convergence"], [1231, "cphf-r-convergence"], [1440, null], [1818, "cphf-r-convergence"]], "CPHF_TASKS": [[716, null], [1208, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1109, null], [1222, "cubeprop-basis-functions"], [1731, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1110, null], [1222, "cubeprop-filepath"], [1731, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1111, null], [1222, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1112, null], [1222, "cubeprop-orbitals"], [1731, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1113, null], [1222, "cubeprop-tasks"], [1731, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1031, null], [1114, null], [1219, "cubic-basis-tolerance"], [1222, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1032, null], [1115, null], [1219, "cubic-block-max-points"], [1222, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1033, null], [1116, null], [1219, "cubic-grid-overage"], [1222, "cubic-grid-overage"], [1731, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1034, null], [1117, null], [1219, "cubic-grid-spacing"], [1222, "cubic-grid-spacing"], [1731, "cubic-grid-spacing"]], "CUHF": [[14, null]], "CUTOFF": [[919, null], [1214, "cutoff"], [1226, "cutoff"], [1250, null]], "CUTOFF_AMPS_PRINT": [[0, "cutoff-amps-print"], [1, "cutoff-amps-print"], [402, null], [1198, "cutoff-amps-print"]], "Calling compute_shell(int P, int Q)": [[1798, "calling-compute-shell-int-p-int-q"]], "Capabilities": [[1762, "capabilities"]], "Capabilities and Alternate Implementations": [[1720, null]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1720, "id18"]], "CdSalc": [[15, null]], "CdSalcList": [[16, null]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1724, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1798, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1818, "charge-transfer-in-sapt"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1762, "citing-psifour"]], "Class Inheritance Diagram": [[1808, "class-inheritance-diagram"], [1808, "id3"], [1808, "id6"]], "Classes": [[1808, "classes"], [1808, "id2"], [1808, "id5"]], "Clone from GitHub Repository": [[1718, "clone-from-github-repository"]], "Code style 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[[1752, "gn-theory"]], "Grid Selection": [[1738, "grid-selection"]], "Guess Vectors": [[1211, "guess-vectors"]], "H0_BLOCKSIZE": [[834, null], [1211, "h0-blocksize"]], "H0_BLOCK_COUPLING": [[832, null], [1211, "h0-block-coupling"]], "H0_BLOCK_COUPLING_SIZE": [[833, null], [1211, "h0-block-coupling-size"]], "H0_GUESS_SIZE": [[835, null], [1211, "h0-guess-size"]], "HBC6": [[1673, "hbc6"], [1733, "hbc6"]], "HD_AVG": [[836, null], [1211, "hd-avg"]], "HD_OTF": [[837, null], [1211, "hd-otf"]], "HEFF4": [[1230, "heff4"], [1411, null]], "HEFF_PRINT": [[1230, "heff-print"], [1412, null]], "HESSIAN_WRITE": [[1027, null], [1218, "hessian-write"]], "HESS_TYPE": [[927, null], [1214, "hess-type"], [1779, "hess-type"]], "HESS_UPDATE": [[1227, "hess-update"], [1328, null]], "HESS_UPDATE_LIMIT": [[1227, "hess-update-limit"], [1329, null]], "HESS_UPDATE_LIMIT_MAX": [[1227, "hess-update-limit-max"], [1330, null]], "HESS_UPDATE_LIMIT_SCALE": [[1227, "hess-update-limit-scale"], [1331, null]], "HESS_UPDATE_USE_LAST": [[1227, "hess-update-use-last"], [1332, null]], "HF": [[85, null]], "HF: Hartree\u2013Fock Theory": [[1819, null]], "HSG": [[1673, "hsg"], [1733, "hsg"]], "HTBH": [[1673, "htbh"], [1733, "htbh"]], "HTR40": [[1673, "htr40"], [1733, "htr40"]], "H_BOND_CONNECT": [[1227, "h-bond-connect"], [1325, null]], "H_GUESS_EVERY": [[1227, "h-guess-every"], [1326, null]], "H_UPDATE_DEN_TOL": [[1227, "h-update-den-tol"], [1327, null]], "Handling Options in Driver": [[1782, "handling-options-in-driver"]], "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 frequency() and hessian()": [[1753, null]], "Header": [[1801, "header"]], "Hessian": [[1783, "hessian"]], "Hessian Update": [[1227, "hessian-update"]], "Higher-Order Exchange Terms without Single-Exchange Approximation": [[1818, "higher-order-exchange-terms-without-single-exchange-approximation"]], "Higher-Order SAPT": [[1818, "higher-order-sapt"]], "How and when to not apply code styling to your contributions": [[1728, "how-and-when-to-not-apply-code-styling-to-your-contributions"]], "How do I retain specific Psi4 scratch files": [[1719, "how-do-i-retain-specific-psi4-scratch-files"]], "How to Ignore the Bots": [[1803, "how-to-ignore-the-bots"]], "How to build and install Psi4, the compact version": [[1719, "how-to-build-and-install-psi4-the-compact-version"]], "How to build, test, and install Psi4, in detail": [[1719, "how-to-build-test-and-install-psi4-in-detail"]], "How to bump a version": [[1767, "how-to-bump-a-version"]], "How to call BLAS & LAPACK in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1791, "how-to-call-blas-lapack-in-psifour"]], "How to choose the compilation directory, {objdir}": [[1719, "how-to-choose-the-compilation-directory-objdir"]], "How to compile for debugging": [[1719, "how-to-compile-for-debugging"]], "How to configure BLAS/LAPACK for building Psi4": [[1719, "how-to-configure-blas-lapack-for-building-psi4"]], "How to configure C++ and C compilers for building Psi4": [[1719, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "How to configure CPPE for building Psi4": [[1730, "how-to-configure-cppe-for-building-psi4"]], "How to configure CheMPS2 for building Psi4": [[1727, "how-to-configure-chemps2-for-building-psi4"]], "How to configure Fortran compilers for building Psi4": [[1719, "how-to-configure-fortran-compilers-for-building-psi4"]], "How to configure LibECPInt for building Psi4": [[1746, "how-to-configure-libecpint-for-building-psi4"]], "How to configure Libint for building Psi4": [[1764, "how-to-configure-libint-for-building-psi4"]], "How to configure Libxc for building Psi4": [[1765, "how-to-configure-libxc-for-building-psi4"]], "How to configure PCMSolver for building Psi4": [[1784, "how-to-configure-pcmsolver-for-building-psi4"]], "How to configure Python for building Psi4": [[1719, "how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1719, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1719, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1735, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1743, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1754, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1756, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1763, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1719, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1820, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1767, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1767, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1767, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1719, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1767, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1767, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1727, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1719, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1719, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1719, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1719, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1719, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1728, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1728, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1729, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1719, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1766, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1767, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1766, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1791, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1791, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1791, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1719, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1718, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1719, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1719, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1719, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1719, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1719, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1719, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1719, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1719, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1728, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1719, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1719, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1719, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1719, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1719, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1719, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1719, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1719, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1729, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1719, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1719, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1719, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1766, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1729, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1719, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1719, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1719, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1791, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1739, "hybrid"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1681, null], [1739, "id5"]], "I-SAPT: A Representative Example": [[1751, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1809, "I.-Basic-Input-Structure"]], "ICORE": [[838, null], [1211, "icore"], [1736, "icore"]], "IDAMAX": [[86, null]], "II. Running a Basic Hartree-Fock Calculation": [[1809, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1809, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1232, "incfock"], [1564, null]], "INCFOCK_CONVERGENCE": [[1232, "incfock-convergence"], [1565, null]], "INCFOCK_FULL_FOCK_EVERY": [[1232, "incfock-full-fock-every"], [1566, null]], "INDUCED_CONVERGENCE": [[1229, "induced-convergence"], [1387, null], [1730, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1227, "intcos-generate-exit"], [1333, null]], "INTEGRAL_CUTOFF": [[928, null], [1214, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1130, null], [1222, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1227, "interfragment-connect"], [1340, null]], "INTERFRAG_COLLINEAR_TOL": [[1227, "interfrag-collinear-tol"], [1334, null]], "INTERFRAG_COORDS": [[1227, "interfrag-coords"], [1335, null]], "INTERFRAG_DIST_INV": [[1227, "interfrag-dist-inv"], [1336, null]], "INTERFRAG_HESS": [[1227, "interfrag-hess"], [1337, null]], "INTERFRAG_MODE": [[1227, "interfrag-mode"], [1338, null]], "INTERFRAG_STEP_LIMIT": [[1227, "interfrag-step-limit"], [1339, null]], "INTERNAL_ROTATIONS": [[1184, null], [1223, "internal-rotations"]], "INTRAFRAG_HESS": [[1227, "intrafrag-hess"], [1341, null]], "INTRAFRAG_STEP_LIMIT": [[1227, "intrafrag-step-limit"], [1342, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1227, "intrafrag-step-limit-max"], [1343, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1227, "intrafrag-step-limit-min"], [1344, null]], "INTS_TOLERANCE": [[416, null], [741, null], [906, null], [1054, null], [1199, "ints-tolerance"], [1209, "ints-tolerance"], [1213, "ints-tolerance"], [1219, "ints-tolerance"], [1225, "ints-tolerance"], [1231, "ints-tolerance"], [1232, "ints-tolerance"], [1235, null], [1453, null], [1567, null], [1818, "ints-tolerance"], [1818, "id26"]], "IO": [[87, null]], "IOManager": [[88, null]], "IP Fitting": [[1738, "ip-fitting"]], "IP_POLES": [[1226, "ip-poles"], [1265, null]], "IRC_DIRECTION": [[1227, "irc-direction"], [1345, null]], "IRC_POINTS": [[1227, "irc-points"], [1346, null]], "IRC_STEP_SIZE": [[1227, "irc-step-size"], [1347, null]], "ISOTROPIC_POL": [[1229, "isotropic-pol"], [1388, null], [1730, "isotropic-pol"]], "ISTOP": [[839, null], [1211, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1809, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1791, "important-blas-routines"]], "Important Lapack Routines": [[1791, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1783, "important-user-changes-from-cpp-optking"]], "InPsight": [[324, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1805, "incorporating-code-into-psifour"]], "Initial Guess": [[1819, "initial-guess"]], "Initialize release branch": [[1769, "initialize-release-branch"]], "Input": [[1743, "input"], [1756, "input"]], "Inputting effective core potentials (ECPs)": [[1711, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1724, "installation"], [1727, "installation"], [1730, "installation"], [1735, "installation"], [1740, "installation"], [1743, "installation"], [1746, "installation"], [1754, "installation"], [1755, "installation"], [1756, "installation"], [1763, "installation"], [1764, "installation"], [1765, "installation"], [1773, "installation"], [1784, "installation"], [1786, "installation"], [1787, "installation"], [1788, "installation"], [1820, "installation"]], "Installation and Runtime Configuration": [[1748, null]], "Installing BrianQC": [[1716, "installing-brianqc"]], "Installing Sphinx": [[1745, "installing-sphinx"]], "Instantiating integral objects": [[1798, "instantiating-integral-objects"]], "IntVector": [[89, null]], "Integral consuming technologies": [[1804, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1819, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[90, null]], "IntegralTransform": [[91, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1798, null]], "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1796, null]], "Interface Details": [[1773, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1724, null]], "Interface to CPPE by M. Scheurer": [[1730, null]], "Interface to CheMPS2 by S. Wouters": [[1727, null]], "Interface to DFTD3 by S. Grimme": [[1740, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1743, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1756, null]], "Interface to GeomeTRIC": [[1783, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1763, null]], "Interface to LibECPInt by R. Shaw": [[1746, null]], "Interface to Libint by E. Valeev": [[1764, null]], "Interface to Libxc by M. A. L. Marques": [[1765, null]], "Interface to MRCC by M. K\u00e1llay": [[1773, null]], "Interface to Molden \u2014 molden()": [[1772, null]], "Interface to NumPy": [[1778, null]], "Interface to PCMSolver by R. Di Remigio": [[1784, null]], "Interface to SIMINT by B. Pritchard": [[1820, null]], "Interface to adcc": [[0, "interface-to-adcc"]], "Interface to adcc by M. F. Herbst and M. Scheurer": [[1, null]], "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst": [[1735, null]], "Interface to gCP by S. Grimme": [[1755, null]], "Interface to gau2grid by D. G. A. Smith": [[1754, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1750, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1716, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1761, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1795, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1818, "interpreting-sapt-results"]], "Introduction": [[1731, "introduction"], [1737, "introduction"], [1744, "introduction"], [1762, null], [1779, "introduction"], [1798, "introduction"], [1819, "introduction"], [1822, "introduction"]], "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1799, null]], "IrreducibleRepresentation": 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"api/psi4.driver.p4util.all_casings", "api/psi4.driver.p4util.array_to_matrix", "api/psi4.driver.p4util.banner", "api/psi4.driver.p4util.basis_helper", "api/psi4.driver.p4util.block_diagonal_array", "api/psi4.driver.p4util.cg_solver", "api/psi4.driver.p4util.compare_fchkfiles", "api/psi4.driver.p4util.compare_fcidumps", "api/psi4.driver.p4util.compare_moldenfiles", "api/psi4.driver.p4util.copy_file_from_scratch", "api/psi4.driver.p4util.copy_file_to_scratch", "api/psi4.driver.p4util.cubeprop", "api/psi4.driver.p4util.davidson_solver", "api/psi4.driver.p4util.docs_table_link", "api/psi4.driver.p4util.drop_duplicates", "api/psi4.driver.p4util.energies_from_fcidump", "api/psi4.driver.p4util.expand_psivars", "api/psi4.driver.p4util.fcidump", "api/psi4.driver.p4util.fcidump_from_file", "api/psi4.driver.p4util.find_approximate_string_matches", "api/psi4.driver.p4util.format_molecule_for_input", "api/psi4.driver.p4util.format_options_for_input", "api/psi4.driver.p4util.free_atom_volumes", "api/psi4.driver.p4util.get_memory", "api/psi4.driver.p4util.get_psifile", "api/psi4.driver.p4util.getattr_ignorecase", "api/psi4.driver.p4util.hamiltonian_solver", "api/psi4.driver.p4util.hold_options_state", "api/psi4.driver.p4util.import_ignorecase", "api/psi4.driver.p4util.kwargs_lower", "api/psi4.driver.p4util.levenshtein", "api/psi4.driver.p4util.libint2_configuration", "api/psi4.driver.p4util.libint2_print_out", "api/psi4.driver.p4util.mat2arr", "api/psi4.driver.p4util.message_box", "api/psi4.driver.p4util.oeprop", "api/psi4.driver.p4util.pcm_helper", "api/psi4.driver.p4util.plump_qcvar", "api/psi4.driver.p4util.prefactor_ecd", "api/psi4.driver.p4util.prefactor_opa", "api/psi4.driver.p4util.prepare_options_for_modules", "api/psi4.driver.p4util.prepare_options_for_set_options", "api/psi4.driver.p4util.provenance_stamp", "api/psi4.driver.p4util.sanitize_method", "api/psi4.driver.p4util.set_memory", "api/psi4.driver.p4util.set_module_options", "api/psi4.driver.p4util.set_options", "api/psi4.driver.p4util.spectrum", "api/psi4.driver.p4util.state_to_atomicinput", "api/psi4.driver.pcm_helper", "api/psi4.driver.process_input", "api/psi4.driver.prop", "api/psi4.driver.properties", "api/psi4.driver.qcdb.vib.compare_vibinfos", "api/psi4.driver.qcdb.vib.filter_nonvib", "api/psi4.driver.qcdb.vib.filter_omega_to_real", "api/psi4.driver.qcdb.vib.harmonic_analysis", "api/psi4.driver.qcdb.vib.hessian_symmetrize", "api/psi4.driver.qcdb.vib.print_molden_vibs", "api/psi4.driver.qcdb.vib.print_vibs", "api/psi4.driver.qcdb.vib.thermo", "api/psi4.driver.sanitize_method", "api/psi4.driver.sanitize_name", "api/psi4.driver.scf_helper", "api/psi4.driver.scf_wavefunction_factory", "api/psi4.driver.set_memory", "api/psi4.driver.set_module_options", "api/psi4.driver.set_options", "api/psi4.driver.tdscf", "api/psi4.driver.vibanal_wfn", "appendices", "autodir_options_c/adc__cutoff_amps_print", "autodir_options_c/adc__gauge", "autodir_options_c/adc__kind", "autodir_options_c/adc__max_num_vecs", "autodir_options_c/adc__maxiter", "autodir_options_c/adc__num_core_orbitals", "autodir_options_c/adc__num_guesses", "autodir_options_c/adc__r_convergence", "autodir_options_c/adc__reference", "autodir_options_c/adc__roots_per_irrep", "autodir_options_c/ccdensity__ao_basis", "autodir_options_c/ccdensity__cachelevel", "autodir_options_c/ccdensity__debug", "autodir_options_c/ccdensity__gauge", "autodir_options_c/ccdensity__ints_tolerance", "autodir_options_c/ccdensity__opdm_only", "autodir_options_c/ccdensity__opdm_relax", "autodir_options_c/ccdensity__prop_all", "autodir_options_c/ccdensity__prop_root", "autodir_options_c/ccdensity__prop_sym", "autodir_options_c/ccdensity__reference", "autodir_options_c/ccdensity__roots_per_irrep", "autodir_options_c/ccdensity__wfn", "autodir_options_c/ccdensity__write_nos", "autodir_options_c/ccdensity__xi", "autodir_options_c/ccdensity__xi_connect", "autodir_options_c/ccdensity__zeta", "autodir_options_c/ccenergy__abcd", "autodir_options_c/ccenergy__analyze", "autodir_options_c/ccenergy__ao_basis", "autodir_options_c/ccenergy__bccd_maxiter", "autodir_options_c/ccenergy__brueckner_orbs_r_convergence", "autodir_options_c/ccenergy__cachelevel", "autodir_options_c/ccenergy__cachetype", "autodir_options_c/ccenergy__cc_num_threads", "autodir_options_c/ccenergy__cc_os_scale", "autodir_options_c/ccenergy__cc_ss_scale", "autodir_options_c/ccenergy__diis", "autodir_options_c/ccenergy__e_convergence", "autodir_options_c/ccenergy__force_restart", "autodir_options_c/ccenergy__local", "autodir_options_c/ccenergy__local_cphf_cutoff", "autodir_options_c/ccenergy__local_cutoff", "autodir_options_c/ccenergy__local_method", "autodir_options_c/ccenergy__local_pairdef", "autodir_options_c/ccenergy__local_weakp", "autodir_options_c/ccenergy__maxiter", "autodir_options_c/ccenergy__mp2_amps_print", "autodir_options_c/ccenergy__mp2_os_scale", "autodir_options_c/ccenergy__mp2_ss_scale", "autodir_options_c/ccenergy__new_triples", "autodir_options_c/ccenergy__num_amps_print", "autodir_options_c/ccenergy__pair_energies_print", "autodir_options_c/ccenergy__property", "autodir_options_c/ccenergy__r_convergence", "autodir_options_c/ccenergy__reference", "autodir_options_c/ccenergy__restart", "autodir_options_c/ccenergy__scs_ccsd", "autodir_options_c/ccenergy__scs_mp2", "autodir_options_c/ccenergy__scsn_mp2", "autodir_options_c/ccenergy__semicanonical", "autodir_options_c/ccenergy__t2_coupled", "autodir_options_c/ccenergy__t3_ws_incore", "autodir_options_c/ccenergy__wfn", "autodir_options_c/cceom__abcd", "autodir_options_c/cceom__cachelevel", "autodir_options_c/cceom__cachetype", "autodir_options_c/cceom__cc3_follow_root", "autodir_options_c/cceom__cc_num_threads", "autodir_options_c/cceom__collapse_with_last", "autodir_options_c/cceom__collapse_with_last_cc3", "autodir_options_c/cceom__complex_tolerance", "autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", 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"angstrom (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.Angstrom", false]], "angularmomentumint (class in psi4.core)": [[4, "psi4.core.AngularMomentumInt", false]], "anharmonicity()": [[1742, "index-0", false]], "anharmonicity() (in module psi4.driver.diatomic)": [[1742, "psi4.driver.diatomic.anharmonicity", false]], "ansatz() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.ansatz", false]], "ansatz() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.ansatz", false]], "ao_3center_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_3center_deriv1", false]], "ao_3coverlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_3coverlap", false]], "ao_angular_momentum() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_angular_momentum", false]], "ao_angular_momentum() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_angular_momentum", false]], "ao_basis (ccdensity)": [[1685, "term-AO_BASIS-CCDENSITY", true]], "ao_basis (ccenergy)": [[1685, "term-AO_BASIS-CCENERGY", true]], "ao_basis (cclambda)": [[1685, "term-AO_BASIS-CCLAMBDA", true]], "ao_basis (cctransort)": [[1685, "term-AO_BASIS-CCTRANSORT", true]], "ao_basis (dct)": [[1685, "term-AO_BASIS-DCT", true]], "ao_dipole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_dipole", false]], "ao_dipole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_dipole", false]], "ao_dkh() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_dkh", false]], "ao_efp_multipole_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_efp_multipole_potential", false]], "ao_elec_dip_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_elec_dip_deriv1", false]], "ao_erf_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_erf_eri", false]], "ao_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_eri", false]], "ao_eri_shell() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_eri_shell", false]], "ao_f12() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_f12", false]], "ao_f12_double_commutator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_f12_double_commutator", false]], "ao_f12_squared() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_f12_squared", false]], "ao_f12g12() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_f12g12", false]], "ao_kinetic() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_kinetic", false]], "ao_kinetic() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_kinetic", false]], "ao_metric_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_metric_deriv1", false]], "ao_multipole_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_multipole_potential", false]], "ao_multipole_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_multipole_potential", false]], "ao_multipoles() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_multipoles", false]], "ao_multipoles() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_multipoles", false]], "ao_nabla() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_nabla", false]], "ao_nabla() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_nabla", false]], "ao_oei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_oei_deriv1", false]], "ao_oei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_oei_deriv2", false]], "ao_overlap() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_overlap", false]], "ao_overlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_overlap", false]], "ao_overlap_half_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_overlap_half_deriv1", false]], "ao_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_potential", false]], "ao_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_potential", false]], "ao_potential_erf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_potential_erf", false]], "ao_potential_erf_complement() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_potential_erf_complement", false]], "ao_pvp() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_pvp", false]], "ao_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_quadrupole", false]], "ao_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_quadrupole", false]], "ao_tei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_tei_deriv1", false]], "ao_tei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_tei_deriv2", false]], "ao_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ao_to_shell", false]], "ao_traceless_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.ao_traceless_quadrupole", false]], "ao_traceless_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.ao_traceless_quadrupole", false]], "aorbs() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.aOrbs", false]], "aoshellcombinationsiterator (class in psi4.core)": [[3, "psi4.core.AOShellCombinationsIterator", false]], "aotoso() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.aotoso", false]], "aotoso() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.aotoso", false]], "append() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.append", false]], "appendcharges() (psi4.core.externalpotential 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false]], "architectures": [[1762, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[149, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1778, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[152, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[153, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.arrays", false]], "ascending 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"auxiliary_bond_factor (optking)": [[1685, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1733, "index-4", false]], "available by element": [[1712, "index-0", false]], "available by family": [[1711, "index-0", false], [1714, "index-0", false]], "available functionals": [[1739, "index-0", false]], "avg_states (detci)": [[1685, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1685, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1685, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[283, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1736, "index-2", false], [1752, "index-2", false]], "basis (dfmp2)": [[1685, "term-BASIS-DFMP2", true]], "basis (mints)": [[1685, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1685, "term-BASIS-SAPT", true]], "basis (scf)": [[1685, "term-BASIS-SCF", true]], "basis set": [[1711, "index-0", false], [1711, "index-1", false], [1711, "index-2", false], [1711, "index-3", false], [1712, "index-0", false], [1713, "index-0", false], [1714, "index-0", false], [1721, "index-0", false], [1721, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[148, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1685, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[284, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1685, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[93, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1757, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1685, "term-BCCD_MAXITER-CCENERGY", true]], 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"psi4.core.Wavefunction.beta_orbital_space", false]], "bfs() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.BFS", false]], "bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.bibtex", false]], "bindex() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.bIndex", false]], "bits() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.bits", false]], "blank() (psi4.core.superfunctional static method)": [[139, "psi4.core.SuperFunctional.blank", false]], "blend() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.blend", false]], "block_diagonal_array() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.block_diagonal_array", false]], "blockopoints (class in psi4.core)": [[9, "psi4.core.BlockOPoints", false]], "blocks() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.blocks", false]], "bohr (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.Bohr", false]], "bohr_per_ang (psi4.driver.p4util.inpsight 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"psi4.core.OrbitalSpace.build_cabs_space", false]], "build_collocation_cache() (psi4.core.vbase method)": [[148, "psi4.core.VBase.build_collocation_cache", false]], "build_jk() (psi4.core.jk static method)": [[93, "psi4.core.JK.build_JK", false]], "build_ri_space() (psi4.core.orbitalspace static method)": [[116, "psi4.core.OrbitalSpace.build_ri_space", false]], "build_sad() (psi4.core.sadguess static method)": [[132, "psi4.core.SADGuess.build_SAD", false]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.C", false]], "c1_deep_copy() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rhf method)": [[129, "psi4.core.RHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.uhf method)": [[146, "psi4.core.UHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.c1_deep_copy", false]], "c2_x() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_x", false]], "c2_y() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_y", false]], "c2_z() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_z", false]], "c_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_add", false]], "c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_alpha", false]], "c_clear() (psi4.core.jk method)": [[93, "psi4.core.JK.C_clear", false]], "c_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functional", false]], "c_functionals() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1685, 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"term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1685, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1757, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1757, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1757, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1757, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[285, "index-0", false], [1721, "index-0", false], [1721, "index-1", false], [1721, "index-2", false], [1721, "index-3", false], [1722, "index-0", false]], "cbs() (in module psi4.driver)": [[285, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1723, "index-0", false]], "cc (detci)": [[1685, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1757, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1757, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1757, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1757, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1757, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1757, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1757, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1757, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1757, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1757, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1757, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1757, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1757, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1757, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1757, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1757, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1757, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1757, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1757, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1723, "index-0", false]], "cc2 alpha-alpha pair energies": [[1757, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1757, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1757, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1757, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1757, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1757, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1757, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1757, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1757, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1757, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1757, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1757, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1757, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1685, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1757, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1757, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1685, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1685, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1685, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1685, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1685, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1685, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1685, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1685, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1685, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1685, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1685, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1685, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1685, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1685, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1685, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1685, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1685, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1685, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1685, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1685, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1685, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1685, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1685, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1685, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1685, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1685, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1685, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1685, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1685, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1685, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1757, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1757, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1757, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1757, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1757, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1757, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1685, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1685, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1685, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[161, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[162, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[163, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[164, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1685, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[165, "psi4.core.cclambda", false]], "ccn correlation energy": [[1757, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1757, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1757, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1757, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1757, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1757, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1757, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1757, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-A-LEN", false]], "ccname root m (in h) -> root n (in i) einstein b (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-B-LEN", false]], "ccname root m (in h) -> root n (in i) oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1757, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1757, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1757, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1757, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1757, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1757, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1757, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1757, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1757, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1757, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1757, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1757, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[166, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1757, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1757, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1757, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1757, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1757, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1757, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1757, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1757, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1757, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1757, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1757, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1757, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1757, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1757, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1752, "index-1", false]], "ccsd(t) correlation energy": [[1757, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1757, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1757, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1757, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1757, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1757, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1757, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1757, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1757, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1757, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1757, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1757, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1757, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1757, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1757, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1757, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1757, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1757, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1757, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1757, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1757, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1757, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1757, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1757, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1757, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1757, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1757, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1757, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[167, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[168, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1752, "index-1", false]], "cepa(0) correlation energy": [[1757, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1757, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1757, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1757, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1757, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1757, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1757, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1757, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1757, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1757, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1757, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1757, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1757, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1757, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1757, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1757, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1757, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1757, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1757, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1757, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1757, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1757, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1757, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1757, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1757, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1757, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1685, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1685, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1685, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1685, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1685, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1685, "term-CEPA_TYPE-OCC", true]], "cfour": [[1724, "index-0", false]], "cfour error code": [[1757, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1685, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1685, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1685, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1685, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1685, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1685, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1685, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1685, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1685, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1685, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1685, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1685, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1685, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1685, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1685, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1685, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1685, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1685, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1685, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1685, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1685, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1685, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1685, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1685, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1685, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1685, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1685, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1685, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1685, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1685, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1685, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1685, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1685, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1685, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1685, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1685, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1685, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1685, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1685, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1685, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1685, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1685, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1685, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1685, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1685, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1685, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1685, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1685, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1685, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1685, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1685, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1685, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1685, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1685, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1685, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1685, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1685, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1685, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1685, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1685, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1685, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1685, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1685, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1685, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1685, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1685, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1685, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1685, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1685, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1685, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1685, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1685, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1685, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1685, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1685, "term-CFOUR_INPUT_MRCC-CFOUR", true]], "cfour_integrals (cfour)": [[1685, "term-CFOUR_INTEGRALS-CFOUR", true]], "cfour_joda_print (cfour)": [[1685, "term-CFOUR_JODA_PRINT-CFOUR", true]], "cfour_lineq_conv (cfour)": [[1685, "term-CFOUR_LINEQ_CONV-CFOUR", true]], "cfour_lineq_maxcy (cfour)": [[1685, "term-CFOUR_LINEQ_MAXCY-CFOUR", true]], "cfour_lineq_type (cfour)": [[1685, "term-CFOUR_LINEQ_TYPE-CFOUR", true]], "cfour_lock_orbocc (cfour)": [[1685, "term-CFOUR_LOCK_ORBOCC-CFOUR", true]], "cfour_maxstep (cfour)": [[1685, "term-CFOUR_MAXSTEP-CFOUR", true]], "cfour_mem_unit (cfour)": [[1685, "term-CFOUR_MEM_UNIT-CFOUR", true]], "cfour_memory_size (cfour)": [[1685, "term-CFOUR_MEMORY_SIZE-CFOUR", true]], "cfour_method (cfour)": [[1685, "term-CFOUR_METHOD-CFOUR", true]], "cfour_mrcc (cfour)": [[1685, "term-CFOUR_MRCC-CFOUR", true]], "cfour_multiplicity (cfour)": [[1685, "term-CFOUR_MULTIPLICITY-CFOUR", true]], "cfour_nacoupling (cfour)": [[1685, "term-CFOUR_NACOUPLING-CFOUR", true]], "cfour_negeval (cfour)": [[1685, "term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1685, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1685, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1685, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1685, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1685, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1685, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1685, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1685, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1685, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1685, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1685, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1685, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1685, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general (cfour)": [[1685, "term-CFOUR_QRHF_GENERAL-CFOUR", true]], "cfour_qrhf_orbital (cfour)": [[1685, "term-CFOUR_QRHF_ORBITAL-CFOUR", true]], "cfour_qrhfgues (cfour)": [[1685, "term-CFOUR_QRHFGUES-CFOUR", true]], "cfour_raman_int (cfour)": [[1685, "term-CFOUR_RAMAN_INT-CFOUR", true]], "cfour_raman_orb (cfour)": [[1685, "term-CFOUR_RAMAN_ORB-CFOUR", true]], "cfour_rdo (cfour)": [[1685, "term-CFOUR_RDO-CFOUR", true]], "cfour_reference (cfour)": [[1685, "term-CFOUR_REFERENCE-CFOUR", true]], "cfour_relativistic (cfour)": [[1685, "term-CFOUR_RELATIVISTIC-CFOUR", true]], "cfour_relax_dens (cfour)": [[1685, "term-CFOUR_RELAX_DENS-CFOUR", true]], "cfour_res_raman (cfour)": [[1685, "term-CFOUR_RES_RAMAN-CFOUR", true]], "cfour_restart_cc (cfour)": [[1685, "term-CFOUR_RESTART_CC-CFOUR", true]], "cfour_rot_evec (cfour)": [[1685, "term-CFOUR_ROT_EVEC-CFOUR", true]], "cfour_save_ints (cfour)": [[1685, "term-CFOUR_SAVE_INTS-CFOUR", true]], "cfour_scale_on (cfour)": [[1685, "term-CFOUR_SCALE_ON-CFOUR", true]], "cfour_scf_conv (cfour)": [[1685, "term-CFOUR_SCF_CONV-CFOUR", true]], "cfour_scf_damping (cfour)": [[1685, "term-CFOUR_SCF_DAMPING-CFOUR", true]], "cfour_scf_exporder (cfour)": [[1685, "term-CFOUR_SCF_EXPORDER-CFOUR", true]], "cfour_scf_expstart (cfour)": [[1685, "term-CFOUR_SCF_EXPSTART-CFOUR", true]], "cfour_scf_extrapolation (cfour)": [[1685, "term-CFOUR_SCF_EXTRAPOLATION-CFOUR", true]], "cfour_scf_maxcyc (cfour)": [[1685, "term-CFOUR_SCF_MAXCYC-CFOUR", true]], "cfour_sd_field (cfour)": [[1685, "term-CFOUR_SD_FIELD-CFOUR", true]], "cfour_spherical (cfour)": [[1685, "term-CFOUR_SPHERICAL-CFOUR", true]], "cfour_spin_flip (cfour)": [[1685, "term-CFOUR_SPIN_FLIP-CFOUR", true]], "cfour_spin_orbit (cfour)": [[1685, "term-CFOUR_SPIN_ORBIT-CFOUR", true]], "cfour_spin_scal (cfour)": [[1685, "term-CFOUR_SPIN_SCAL-CFOUR", true]], "cfour_spinrotation (cfour)": [[1685, "term-CFOUR_SPINROTATION-CFOUR", true]], "cfour_subgroup (cfour)": [[1685, "term-CFOUR_SUBGROUP-CFOUR", true]], "cfour_sym_check (cfour)": [[1685, "term-CFOUR_SYM_CHECK-CFOUR", true]], "cfour_symmetry (cfour)": [[1685, "term-CFOUR_SYMMETRY-CFOUR", true]], "cfour_t3_extrapol (cfour)": [[1685, "term-CFOUR_T3_EXTRAPOL-CFOUR", true]], "cfour_tamp_sum (cfour)": [[1685, "term-CFOUR_TAMP_SUM-CFOUR", true]], "cfour_thermochemistry (cfour)": [[1685, "term-CFOUR_THERMOCHEMISTRY-CFOUR", true]], "cfour_trans_inv (cfour)": [[1685, "term-CFOUR_TRANS_INV-CFOUR", true]], "cfour_treat_pert (cfour)": [[1685, "term-CFOUR_TREAT_PERT-CFOUR", true]], "cfour_uij_threshold (cfour)": [[1685, "term-CFOUR_UIJ_THRESHOLD-CFOUR", true]], "cfour_units (cfour)": [[1685, "term-CFOUR_UNITS-CFOUR", true]], "cfour_update_hessian (cfour)": [[1685, "term-CFOUR_UPDATE_HESSIAN-CFOUR", true]], "cfour_vibration (cfour)": [[1685, "term-CFOUR_VIBRATION-CFOUR", true]], "cfour_vtran (cfour)": [[1685, "term-CFOUR_VTRAN-CFOUR", true]], "cfour_xfield (cfour)": [[1685, "term-CFOUR_XFIELD-CFOUR", true]], "cfour_xform_tol (cfour)": [[1685, 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"computenuclearenergy() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1719, "index-20", false], [1719, "index-22", false], [1748, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1685, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1783, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1762, "index-3", false]], "continuum solvation": [[1735, "index-0", false], [1784, "index-0", false]], "converged (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1783, "index-3", false]], "convergenceerror": [[267, "psi4.driver.ConvergenceError", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[149, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[290, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.copy_file_to_scratch", false]], "copy_lower_to_upper() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy_lower_to_upper", false]], "copy_upper_to_lower() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy_upper_to_lower", false]], "core_hamiltonian_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.core_hamiltonian_grad", false]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2", false]], "corr_ansatz (psimrcc)": [[1685, "term-CORR_ANSATZ-PSIMRCC", true]], "corr_ccsd_t (psimrcc)": [[1685, "term-CORR_CCSD_T-PSIMRCC", true]], "corr_charge (psimrcc)": [[1685, "term-CORR_CHARGE-PSIMRCC", true]], "corr_multp (psimrcc)": [[1685, "term-CORR_MULTP-PSIMRCC", true]], "corr_wfn (psimrcc)": [[1685, "term-CORR_WFN-PSIMRCC", true]], "correlated (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Correlated", false]], "correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1735, "index-0", false]], "cosx_basis_tolerance (scf)": [[1685, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1685, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1685, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1685, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1685, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1685, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1685, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1685, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1814, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1775, "index-1", false]], "coupled_induction (sapt)": [[1685, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1685, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1685, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1685, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1775, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1757, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1685, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1685, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1685, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1685, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1730, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1719, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1719, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[109, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[102, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[291, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.Ct", false]], "cube": [[1731, "index-0", false]], "cubeprop": [[1731, "index-0", false]], "cubeprop() (in module psi4.driver)": [[292, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1685, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1685, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1685, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1685, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1685, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1685, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1685, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1685, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1685, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1685, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1685, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1685, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1685, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1757, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current dipole": [[1757, "psivar-CURRENT-DIPOLE", false]], "current dipole gradient": [[1757, "psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1757, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1757, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1757, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1757, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1757, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1757, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1757, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1757, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1757, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1757, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "cutoff (dfocc)": [[1685, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1685, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1685, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[93, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1685, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1685, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1685, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1685, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1819, "index-2", false]], "damping_convergence (scf)": [[1685, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1685, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1685, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1685, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1685, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1685, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[85, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[148, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1733, "index-0", false], [1733, "index-3", false], [1733, "index-4", false], [1816, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1733, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1733, "index-0", false]], "db() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1757, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1757, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1757, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1734, "index-0", false]], "dct lambda energy": [[1757, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1757, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1757, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1757, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[174, "psi4.core.dct", false]], "dct_functional (dct)": [[1685, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1685, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1685, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1757, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1735, "index-0", false]], "ddx (globals)": [[1685, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1685, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1685, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1685, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1685, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1685, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1685, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1685, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1685, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1685, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1685, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1685, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1685, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1685, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1685, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1685, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1685, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1685, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1685, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1685, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1685, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1685, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1685, "term-DEBUG-CPHF", true]], "debug (globals)": [[1685, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1713, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[175, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[176, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[177, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1685, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1721, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1685, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1685, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1737, "index-0", false], [1752, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1685, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1685, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[81, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1757, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[178, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1685, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1752, "index-1", false]], "df-mp2": [[1737, "index-0", false], [1737, "index-1", false]], "df_basis_cc (fnocc)": [[1685, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1685, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1685, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1685, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1685, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1685, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1685, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1685, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1685, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1685, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1685, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1685, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1685, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1685, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1685, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1685, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1685, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1685, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1685, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1685, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1685, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1685, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1685, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1685, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1685, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[103, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[179, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1685, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1685, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1685, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[180, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1738, "index-0", false], [1739, "index-0", false], [1765, "index-0", false]], "dft dipole gradient": [[1757, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1757, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1757, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1757, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1757, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1757, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1757, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1685, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1685, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1685, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1685, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1685, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1685, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1685, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1685, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1685, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1685, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1685, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1685, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1685, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1685, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1685, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1685, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1685, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1685, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1685, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1685, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1685, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1685, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1685, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1685, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1685, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1685, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1685, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1685, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1685, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1685, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1685, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1685, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1685, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1685, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1740, "index-0", false]], "dftd4": [[1740, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1741, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1685, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1685, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1685, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1685, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1819, "index-2", false]], "diis (ccenergy)": [[1685, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1685, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1685, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1685, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1685, "term-DIIS-MCSCF", true]], "diis (scf)": [[1685, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[85, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[129, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1685, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1685, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1685, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1685, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1685, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1685, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1685, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1685, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1685, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1685, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1685, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1685, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1685, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1685, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1685, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1685, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1685, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[149, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[149, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1685, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1685, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1685, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1757, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1756, "index-0", false]], "distributed_matrix (scf)": [[1685, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1743, "index-0", false]], "dkh_order (globals)": [[1685, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[181, "psi4.core.dlpno", false]], "dlpno-mp2": [[1744, "index-0", false], [1744, "index-1", false]], "dlpno_algorithm (dlpno)": [[1685, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1685, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1685, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1756, "index-0", false]], "dma distributed multipoles": [[1757, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1757, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[182, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1757, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1757, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1685, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1685, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1685, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1685, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1685, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1685, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1685, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1685, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1685, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1685, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1685, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1685, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1685, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1685, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1685, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1685, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1685, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1685, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1685, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1685, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1685, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1685, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1685, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1685, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1685, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], 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(optking)": [[1685, "term-EXT_FORCE_DIHEDRAL-OPTKING", true]], "ext_force_distance (optking)": [[1685, "term-EXT_FORCE_DISTANCE-OPTKING", true]], "ext_force_oofp (optking)": [[1685, "term-EXT_FORCE_OOFP-OPTKING", true]], "extend() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.extend", false]], "extern (scf)": [[1685, "term-EXTERN-SCF", true]], "external_pot() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.external_pot", false]], "external_potential_symmetry (globals)": [[1685, "term-EXTERNAL_POTENTIAL_SYMMETRY-GLOBALS", true]], "externalpotential (class in psi4.core)": [[74, "psi4.core.ExternalPotential", false]], "extract_subsets() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.extract_subsets", false]], "extrapolate() (psi4.driver.p4util.diis method)": [[322, "psi4.driver.p4util.DIIS.extrapolate", false]], "extrapolation": [[1721, "index-3", false]], "extrapolation schemes": [[1721, "index-3", false]], "exvals() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.Exvals", false]], "eyvals() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.Eyvals", false]], "ezvals() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.Ezvals", false]], "f12() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.f12", false]], "f12_cgtg() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.f12_cgtg", false]], "f12_double_commutator() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.f12_double_commutator", false]], "f12_squared() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.f12_squared", false]], "f12g12() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.f12g12", false]], "f_cut (dlpno)": [[1685, "term-F_CUT-DLPNO", true]], "fa() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Fa", false]], "fa_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Fa_subset", false]], "factory() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.factory", false]], "fail_on_maxiter (scf)": [[1685, "term-FAIL_ON_MAXITER-SCF", true]], "failure (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.Failure", false]], "favg (mcscf)": [[1685, "term-FAVG-MCSCF", true]], "favg_ccsd_t (psimrcc)": [[1685, "term-FAVG_CCSD_T-PSIMRCC", true]], "favg_start (mcscf)": [[1685, "term-FAVG_START-MCSCF", true]], "fb() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Fb", false]], "fb_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Fb_subset", false]], "fcharge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fcharge", false]], "fchk": [[1750, "index-0", false]], "fchk() (in module psi4.driver)": [[297, "psi4.driver.fchk", false]], "fchkwriter (class in psi4.core)": [[75, "psi4.core.FCHKWriter", false]], "fci (detci)": [[1685, "term-FCI-DETCI", true]], "fci correlation energy": [[1757, "psivar-FCI-CORRELATION-ENERGY", false]], "fci total energy": [[1757, "psivar-FCI-TOTAL-ENERGY", false]], "fci_strings (detci)": [[1685, "term-FCI_STRINGS-DETCI", true]], "fcidump() (in module psi4.driver)": [[298, "psi4.driver.fcidump", false]], "fcidump() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump", false]], "fcidump_from_file() (in module psi4.driver)": [[299, "psi4.driver.fcidump_from_file", false]], "fcidump_from_file() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.fcidump_from_file", false]], "fcidump_tei_helper() (in module psi4.core)": [[188, "psi4.core.fcidump_tei_helper", false]], "fctl dispersion correction energy": [[1757, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", false]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.fctldash", false]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash", false]], "fd_project (findif)": [[1685, "term-FD_PROJECT-FINDIF", true]], "fdds_dispersion (class in psi4.core)": [[76, "psi4.core.FDDS_Dispersion", false]], "fdisp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.fdisp", false]], "felst() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.felst", false]], "fexch() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.fexch", false]], "fill() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.fill", false]], "filter_guess (detci)": [[1685, "term-FILTER_GUESS-DETCI", true]], "filter_guess_det1 (detci)": [[1685, "term-FILTER_GUESS_DET1-DETCI", true]], "filter_guess_det2 (detci)": [[1685, "term-FILTER_GUESS_DET2-DETCI", true]], "filter_guess_sign (detci)": [[1685, "term-FILTER_GUESS_SIGN-DETCI", true]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_nonvib", false]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.filter_omega_to_real", false]], "filter_zero_det (detci)": [[1685, "term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[189, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[93, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[300, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.find_occupation", false]], "find_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.find_point_group", false]], "findif number": [[1757, "psivar-FINDIF-NUMBER", false]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec", false]], "first() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.first", false]], "fisapt": [[1751, "index-0", false]], "fisapt (class in psi4.core)": [[77, "psi4.core.FISAPT", false]], "fisapt_charge_completeness (fisapt)": [[1685, "term-FISAPT_CHARGE_COMPLETENESS-FISAPT", true]], "fisapt_cube_densmat (fisapt)": [[1685, "term-FISAPT_CUBE_DENSMAT-FISAPT", true]], "fisapt_cube_linkibos (fisapt)": [[1685, "term-FISAPT_CUBE_LINKIBOS-FISAPT", true]], "fisapt_cube_linkihos (fisapt)": [[1685, "term-FISAPT_CUBE_LINKIHOS-FISAPT", true]], "fisapt_do_fsapt (fisapt)": [[1685, "term-FISAPT_DO_FSAPT-FISAPT", true]], "fisapt_do_fsapt_disp (fisapt)": [[1685, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1685, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1685, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1685, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1685, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1685, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1685, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1685, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1685, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1685, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1685, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[78, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[79, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1685, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[190, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1752, "index-0", false]], "fno-ccsd(t)": [[1752, "index-1", false]], "fno-mp4": [[1752, "index-1", false]], "fno-qcisd(t)": [[1752, "index-1", false]], "fnocc": [[1752, "index-2", false], [1752, "index-3", false]], "fnocc() (in module psi4.core)": [[191, "psi4.core.fnocc", false]], "follow_root (detci)": [[1685, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1685, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1685, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1685, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1685, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1685, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1685, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1685, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[85, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[85, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[85, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[85, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[85, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[85, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1685, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1685, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1685, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1685, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[85, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1685, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1685, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1685, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1685, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[80, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_core (globals)": [[1685, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1685, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1685, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1685, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1685, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1753, "index-0", false]], "freq() (in module psi4.driver)": [[301, "psi4.driver.freq", false]], "frequencies()": [[1753, "index-0", false]], "frequencies() (in module psi4.driver)": [[302, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1753, "index-0", false]], "frequency() (in module psi4.driver)": [[303, "psi4.driver.frequency", false]], "frequency();": [[1753, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[107, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[151, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1752, "index-0", false]], "frozen natural orbitals": [[1752, "index-1", false]], "frozen_bend (optking)": [[1685, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1685, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1685, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1685, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1685, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1685, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1685, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1685, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1685, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1753, "index-0", false], [1781, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[81, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[85, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[148, "psi4.core.VBase.functional", false]], "functionals": [[1765, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fZ", false], [107, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1685, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1754, "index-0", false]], "gauge (adc)": [[1685, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1685, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1685, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1750, "index-0", false]], "gaussianshell (class in psi4.core)": [[82, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[83, "psi4.core.GaussianType", false]], "gcp": [[1755, "index-0", false]], "gdma": [[1756, "index-0", false]], "gdma() (in module psi4.driver)": [[304, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1685, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1685, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1685, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1685, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1685, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1813, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1685, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1781, "index-0", false], [1783, "index-1", false], [1783, "index-2", false], [1783, "index-3", false], [1783, "index-4", false]], "geometry optimization, optimization": [[1783, "index-0", false]], "geometry() (in module psi4.driver)": [[305, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[84, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[149, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[192, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[193, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[194, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[148, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[115, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[115, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[195, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[115, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[196, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[197, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[115, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[115, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[198, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[199, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[306, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[148, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[200, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[201, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[202, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[203, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[115, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[204, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[205, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[206, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[87, "psi4.core.IO.getpid", false]], "ghost": [[1814, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1814, "index-3", false]], "gibbs free energy": [[1757, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1757, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[207, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1781, "index-0", false]], "gradient() (in module psi4.driver)": [[307, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1685, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1757, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1757, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1757, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[148, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1685, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[85, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1685, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1685, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1685, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1685, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1685, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1685, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1685, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1685, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1685, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1685, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1685, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1824, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1819, "index-0", false]], "has_array_variable() (in module psi4.core)": [[208, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[209, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[210, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[211, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[212, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[213, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1685, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1685, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1685, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1685, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1685, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1685, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1685, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1685, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1685, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1685, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1753, "index-0", false]], "hessian() (in module psi4.driver)": [[308, "psi4.driver.hessian", false]], "hessian() 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"term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1685, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[149, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[214, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[93, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1719, "index-0", false]], "intcos_generate_exit (optking)": [[1685, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1685, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1685, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[90, "psi4.core.IntegralFactory", false]], "integrals": [[1764, "index-0", false], [1820, "index-0", false]], "integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals", false]], "integrals_erf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erf", false]], "integrals_erfc() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erfc", false]], "integraltransform (class in psi4.core)": [[91, "psi4.core.IntegralTransform", false]], "interfrag_collinear_tol (optking)": [[1685, "term-INTERFRAG_COLLINEAR_TOL-OPTKING", true]], "interfrag_coords (optking)": [[1685, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1685, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1685, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1685, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1685, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1685, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1685, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1685, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1685, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1685, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1685, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1685, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1685, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1685, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1685, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[89, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[87, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[88, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[89, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1685, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[309, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1749, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1783, "index-2", false]], "irc_direction (optking)": [[1685, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1685, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1685, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[92, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1780, "index-1", false]], "isotope": [[1814, "index-4", false]], "isotopes": [[1814, "index-4", false]], "isotropic_pol (pe)": [[1685, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1685, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[85, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[93, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[93, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[85, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1685, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[93, "psi4.core.JK.K", false]], "keywords": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1685, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[94, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[96, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1757, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1757, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1757, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1757, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1757, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1757, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1757, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1752, "index-1", false]], "lccsd (+lmp2) total energy": [[1757, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1757, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1757, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1757, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1757, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1757, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1757, "psivar-LCCSD-TOTAL-ENERGY", false]], "left-right cc2 eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", false]], "left-right cc3 eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", false]], "left-right ccsd eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", false]], "left-right ccsd(t) eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", false]], "level_shift (dfocc)": [[1685, "term-LEVEL_SHIFT-DFOCC", true]], "level_shift (mcscf)": [[1685, "term-LEVEL_SHIFT-MCSCF", true]], "level_shift (occ)": [[1685, "term-LEVEL_SHIFT-OCC", true]], "level_shift (scf)": [[1685, "term-LEVEL_SHIFT-SCF", true]], "level_shift_cutoff (scf)": [[1685, "term-LEVEL_SHIFT_CUTOFF-SCF", true]], "levenshtein() (in module psi4.driver)": [[310, "psi4.driver.levenshtein", false]], "levenshtein() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.levenshtein", false]], "libecpint": [[1746, "index-0", false]], "libefp": [[1763, "index-0", false]], "libint": [[1764, "index-0", false]], "libint2_configuration() (in module psi4.driver)": [[311, "psi4.driver.libint2_configuration", false]], "libint2_configuration() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_configuration", false]], "libint2_print_out() (in module psi4.driver)": [[312, "psi4.driver.libint2_print_out", false]], "libint2_print_out() (in module psi4.driver.p4util)": [[363, "psi4.driver.p4util.libint2_print_out", false]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[215, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1763, "index-1", false], [1763, "index-5", false]], "libxc": [[1765, "index-0", false]], "libxcfunctional (class in psi4.core)": [[97, "psi4.core.LibXCFunctional", false]], "license": [[1762, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light", false]], "light_color (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light_color", false]], "linear (ccresponse)": [[1685, "term-LINEAR-CCRESPONSE", true]], "lineq_solver (dfocc)": [[1685, "term-LINEQ_SOLVER-DFOCC", true]], "lineshape (class in psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lineshape", false]], "lineshape() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.lineshape", false]], "lineshape() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.lineshape", false]], "lineshape() 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"local_ibo_stars (fisapt)": [[1685, "term-LOCAL_IBO_STARS-FISAPT", true]], "local_ibo_stars_completeness (fisapt)": [[1685, "term-LOCAL_IBO_STARS_COMPLETENESS-FISAPT", true]], "local_ibo_use_stars (fisapt)": [[1685, "term-LOCAL_IBO_USE_STARS-FISAPT", true]], "local_maxiter (dlpno)": [[1685, "term-LOCAL_MAXITER-DLPNO", true]], "local_maxiter (fisapt)": [[1685, "term-LOCAL_MAXITER-FISAPT", true]], "local_maxiter (scf)": [[1685, "term-LOCAL_MAXITER-SCF", true]], "local_method (ccenergy)": [[1685, "term-LOCAL_METHOD-CCENERGY", true]], "local_method (cceom)": [[1685, "term-LOCAL_METHOD-CCEOM", true]], "local_method (cclambda)": [[1685, "term-LOCAL_METHOD-CCLAMBDA", true]], "local_method (ccresponse)": [[1685, "term-LOCAL_METHOD-CCRESPONSE", true]], "local_pairdef (ccenergy)": [[1685, "term-LOCAL_PAIRDEF-CCENERGY", true]], "local_pairdef (cclambda)": [[1685, "term-LOCAL_PAIRDEF-CCLAMBDA", true]], "local_pairdef (ccresponse)": [[1685, "term-LOCAL_PAIRDEF-CCRESPONSE", true]], 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"mbis radial moments <r^3>": [[1757, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence widths": [[1757, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1757, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1685, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1685, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1685, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1685, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1685, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1770, "index-0", false], [1770, "index-1", false]], "mcscf total energy": [[1757, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[216, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1685, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1685, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type 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"term-MOM_VIR-SCF", true]], "montage": [[1731, "envvar-MONTAGE", false], [1731, "index-2", false]], "mospace (class in psi4.core)": [[99, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[100, "psi4.core.MOWriter", false]], "mp2": [[1737, "index-0", false]], "mp2 alpha-alpha pair energies": [[1757, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1757, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1757, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1757, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1757, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1757, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1757, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1757, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1757, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1757, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1757, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1757, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1757, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1757, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1757, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1757, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1757, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1757, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1757, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1757, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1685, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1685, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1685, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1685, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1685, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1685, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1685, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1685, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1685, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1685, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1685, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1685, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1685, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1685, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1685, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1685, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1685, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1685, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1685, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1757, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1757, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1757, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1757, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1757, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1757, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1752, "index-1", false]], "mp4 correlation energy": [[1757, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1757, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1757, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1757, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1757, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1757, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1757, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1685, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1685, "term-MPN-DETCI", true]], "mpn correlation energy": [[1757, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1757, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1685, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1685, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1685, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1773, "index-0", false]], "mrcc total energy": [[1757, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[217, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1685, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[218, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1685, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1685, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1685, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1685, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1685, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1685, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1757, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1685, "term-MS0-DETCI", true]], "mtd 128-pole": [[1757, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1757, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1757, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1757, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1757, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1757, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1757, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1757, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1770, "index-2", false]], "multiple fragments": [[1814, "index-7", false]], "multiple in input file": [[1814, "index-1", false]], "multiple within molecule": [[1711, "index-1", false]], "multiplicity": [[1814, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[108, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[109, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1810, "index-0", false]], "n() 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"name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[89, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[149, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[81, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[93, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1685, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1685, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1685, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1685, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1685, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1685, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1685, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1757, "psivar-NAUX-CC", false]], "naux (scf)": [[1757, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[148, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1757, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1757, "psivar-NBODY-NUMBER", false]], "nbody() (in 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"term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[149, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1685, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1685, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1814, "index-2", false]], "no_singles (psimrcc)": [[1685, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1685, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[149, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[149, 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"psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1757, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_repulsion_energy_deriv1", false]], "nuclear_repulsion_energy_deriv2() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nuclear_repulsion_energy_deriv2", false]], "num_amps_print (ccenergy)": [[1685, "term-NUM_AMPS_PRINT-CCENERGY", true]], "num_amps_print (cceom)": [[1685, "term-NUM_AMPS_PRINT-CCEOM", true]], "num_amps_print (cclambda)": [[1685, "term-NUM_AMPS_PRINT-CCLAMBDA", true]], "num_amps_print (ccresponse)": [[1685, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1685, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1685, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1685, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1685, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1685, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1685, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1685, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1685, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[111, "psi4.core.NumIntHelper", false]], "numpy": [[1778, "index-0", false]], "occ() (in module psi4.core)": [[219, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1685, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1685, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1685, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1685, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1685, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1757, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1757, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1685, "term-ODC_GUESS-DCT", true]], "oeprop": [[1780, "index-0", false]], "oeprop (class in psi4.core)": [[112, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1685, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1685, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[318, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1685, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1779, "index-1", false], [1779, "index-5", false]], "olccd correlation energy": [[1757, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1757, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1757, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1757, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1757, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1757, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1757, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1685, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[81, "psi4.core.Functional.omega", false]], "omega_erf (mints)": [[1685, "term-OMEGA_ERF-MINTS", true]], "omp2": [[1779, "index-1", false], [1779, "index-2", false]], "omp2 correlation energy": [[1757, "psivar-OMP2-CORRELATION-ENERGY", false]], "omp2 doubles energy": [[1757, "psivar-OMP2-DOUBLES-ENERGY", false]], "omp2 opposite-spin correlation energy": [[1757, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2 reference correction energy": [[1757, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", false]], "omp2 same-spin correlation energy": [[1757, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1757, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1779, "index-4", false]], "omp2.5 correlation energy": [[1757, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1757, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1757, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference correction energy": [[1757, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", false]], "omp2.5 same-spin correlation energy": [[1757, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2.5 total energy": [[1757, "psivar-OMP2.5-TOTAL-ENERGY", false]], "omp3": [[1779, "index-1", false], [1779, "index-3", false]], "omp3 correlation energy": [[1757, "psivar-OMP3-CORRELATION-ENERGY", false]], "omp3 doubles energy": [[1757, "psivar-OMP3-DOUBLES-ENERGY", false]], "omp3 opposite-spin correlation energy": [[1757, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1757, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1757, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1757, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1737, "index-2", false], [1737, "index-3", false], [1748, "envvar-OMP_NESTED", false]], "omp_num_threads": [[662, "index-0", false], [1207, "index-0", false], [1225, "index-0", false], [1241, "index-0", false], [1685, "index-0", false], [1685, "index-1", false], [1724, "index-9", false], [1748, "envvar-OMP_NUM_THREADS", false], [1748, "index-14", false], [1748, "index-7", false]], "one-electron energy": [[1757, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[113, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[114, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1685, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1685, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1685, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1685, "term-OPDM-DCT", true]], "opdm (detci)": [[1685, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1685, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1685, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1685, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[87, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[87, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1781, "index-0", false]], "opt() (in module psi4.driver)": [[319, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1685, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1685, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1685, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1685, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1685, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1757, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[271, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1781, "index-0", false]], "optimize() (in module psi4.driver)": [[320, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[321, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[220, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[115, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[221, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[329, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1685, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1685, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1685, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1685, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1779, "index-1", false]], "orbital-optimized methods, olccd": [[1779, "index-0", false]], "orbital-optimized methods, omp2": [[1779, "index-0", false]], "orbital-optimized methods, omp2.5": [[1779, "index-0", false]], "orbital-optimized methods, omp3": [[1779, "index-0", false]], "orbital_level_shift (dct)": [[1685, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1685, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[116, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1779, "index-6", false]], "oremp2 correlation energy": [[1757, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1757, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1757, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1757, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1757, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1757, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1757, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1685, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1685, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1685, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[222, "psi4.core.outfile_name", false]], "output": [[1721, "index-2", false], [1733, "index-3", false], [1783, "index-4", false], [1818, "index-5", false], [1824, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.overlap", false]], "overlap_3c() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.overlap_3c", false]], "overlap_check (cceom)": [[1685, "term-OVERLAP_CHECK-CCEOM", true]], "overlap_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.overlap_grad", false]], "overlapint (class in psi4.core)": [[117, "psi4.core.OverlapInt", false]], "owner_group (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.owner_group", false]], "p (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.p", false]], "p (thermo)": [[1685, "term-P-THERMO", true]], "pair_energies_print (ccenergy)": [[1685, "term-PAIR_ENERGIES_PRINT-CCENERGY", true]], "parallel (scf)": [[1685, "term-PARALLEL-SCF", true]], "parallel operation": [[1748, "index-6", false]], "parent_atom() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.parent_atom", false]], "parent_symmetry (globals)": [[1685, "term-PARENT_SYMMETRY-GLOBALS", true]], "parsingerror": [[272, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[273, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [107, "index-0", false], [1719, "index-1", false], [1719, "index-10", false], [1719, "index-11", false], [1719, "index-12", false], [1719, "index-13", false], [1719, "index-14", false], [1719, "index-15", false], [1719, "index-16", false], [1719, "index-17", false], [1719, "index-18", false], [1719, "index-19", false], [1719, "index-24", false], [1719, "index-25", false], [1719, "index-26", false], [1719, "index-5", false], [1719, "index-7", false], [1724, "index-1", false], [1724, "index-3", false], [1724, "index-5", false], [1724, "index-7", false], [1729, "index-0", false], [1729, "index-3", false], [1729, "index-5", false], [1729, "index-6", false], [1729, "index-7", false], [1740, "index-1", false], [1748, "envvar-PATH", false], [1748, "index-17", false], [1748, "index-18", false], [1755, "index-1", false], [1755, "index-2", false], [1773, "index-1", false]], "pbs queueing system": [[1748, "index-9", false]], "pcg_beta_type (dfocc)": [[1685, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1685, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1685, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1685, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1685, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1685, "term-PCG_MAXITER-OCC", true]], "pcm": [[1735, "index-0", false], [1784, "index-0", false], [1784, "index-1", false]], "pcm (globals)": [[1685, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1757, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1685, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() 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"psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1685, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1685, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1685, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1685, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[133, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[119, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1685, "term-PHI_POINTS-SCF", true]], "physconst": [[1687, "index-0", false]], "physical constants": [[1813, "index-0", false]], "pitzer_to_ci_order_onel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_onel", false]], "pitzer_to_ci_order_twoel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_twoel", false]], "pk_all_nonsym (scf)": [[1685, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1685, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1749, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.play", false]], "plugin": [[1788, "index-0", false]], "plugin() (in module psi4.core)": [[223, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[224, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[225, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[226, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[118, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1685, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[120, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[121, "psi4.core.PointGroup", false]], "points (findif)": [[1685, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[276, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[122, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1685, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1685, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1685, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[227, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1719, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[123, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1685, "term-PRINT-CPHF", true]], "print (efp)": [[1685, "term-PRINT-EFP", true]], "print (globals)": [[1685, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1685, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1685, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() 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"psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[85, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[93, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[148, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[115, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[389, 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(psi4.core.options method)": [[115, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1685, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1685, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1685, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1685, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1685, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1685, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1685, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1685, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1685, "term-REFERENCE-DCT", true]], "reference (detci)": [[1685, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1685, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1685, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1685, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1685, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1685, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[87, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1817, "index-0", false]], "relativistic (globals)": [[1685, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1685, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1685, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1757, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1757, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1757, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1757, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1757, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1757, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1685, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1685, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[235, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1685, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1685, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1748, "index-0", false]], "restart (ccenergy)": [[1685, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1685, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1685, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1685, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1685, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[328, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[327, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1685, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1685, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[237, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1685, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1685, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1685, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[129, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1685, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[130, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1685, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1685, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[131, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1685, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1685, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1685, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1685, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1685, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1685, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1685, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1685, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1685, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rows", false]], "rpa": [[1822, "index-0", false]], "rsrfo_alpha_max (optking)": [[1685, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1685, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1685, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1685, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1724, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1755, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1685, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1685, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1685, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1685, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1685, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1685, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1685, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1685, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1685, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1685, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1685, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1685, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1685, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1685, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1685, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1685, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[132, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[135, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[392, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[393, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1685, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1818, "index-0", false], [1818, "index-1", false], [1818, "index-2", false], [1818, "index-3", false], [1818, "index-4", false], [1818, "index-5", false]], "sapt (scf)": [[1685, "term-SAPT-SCF", true]], "sapt alpha": [[1757, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1757, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1757, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1757, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1757, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1757, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1757, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1757, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1757, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1757, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1757, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1757, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1757, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1757, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1757, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1757, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1757, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1757, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1757, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1757, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1757, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1757, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1757, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1757, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1757, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1757, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1757, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1757, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1757, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1757, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1757, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1757, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1757, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1757, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1757, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1757, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1757, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1757, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1757, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1757, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1757, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1757, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1757, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[238, "psi4.core.sapt", false]], "sapt(dft)": [[1818, "index-2", false]], "sapt0": [[1818, "index-1", false]], "sapt0 disp energy": [[1757, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1757, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1757, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1757, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1757, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1685, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1685, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1685, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1757, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1757, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1757, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1757, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1757, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1757, "psivar-1", false]], "sapt2+ elst energy": [[1757, "psivar-2", false]], "sapt2+ exch energy": [[1757, "psivar-3", false]], "sapt2+ ind energy": [[1757, "psivar-4", false]], "sapt2+ total energy": [[1757, "psivar-9", false]], "sapt2+(3) disp energy": [[1757, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1757, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1757, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1757, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1757, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1757, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1757, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1757, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1757, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1757, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1757, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1757, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1757, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1757, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1757, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1757, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1757, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1757, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1757, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1757, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1757, "psivar-5", false]], "sapt2+3 elst energy": [[1757, "psivar-6", false]], "sapt2+3 exch energy": [[1757, "psivar-7", false]], "sapt2+3 ind energy": [[1757, "psivar-8", false]], "sapt2+3 total energy": [[1757, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1757, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1757, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1757, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1757, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1757, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1757, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1757, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1757, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1757, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1757, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1757, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1757, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1757, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1757, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1757, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1757, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1757, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1757, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1757, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1757, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1685, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1685, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1685, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1685, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1685, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1685, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1685, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1685, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1685, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1685, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1685, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1685, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1685, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[149, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1685, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1685, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1685, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[136, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[239, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[240, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[149, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[241, "psi4.core.scatter", false]], "scf": [[1819, "index-0", false], [1819, "index-1", false]], "scf dipole": [[1757, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1757, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1757, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1757, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1757, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1757, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1757, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1757, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[394, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1685, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1685, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1685, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1685, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1685, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1685, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1685, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1685, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[85, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[395, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[277, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[242, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[243, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1685, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.scramble", false]], "scratch files": [[1748, "index-0", false]], "screening (globals)": [[1685, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1757, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1757, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1757, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1757, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1757, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1757, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1757, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1757, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1757, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1757, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1757, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1757, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1757, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1757, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1757, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1757, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1685, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1685, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1685, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1685, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1685, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1685, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1685, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1757, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1757, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1685, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1685, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1685, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1685, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1685, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1685, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1685, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[85, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[149, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[244, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.set_ansatz", false]], "set_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_AO_core", false]], "set_array() (psi4.core.options method)": [[115, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[245, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[115, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[115, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[93, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[246, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[115, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[85, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[247, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[248, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[115, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[249, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[250, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[396, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[93, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[251, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[397, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[252, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[398, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1749, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[253, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[87, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[93, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[254, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[115, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[255, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[115, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[115, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[256, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.setName", false]], "setting": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "setting keywords": [[1779, "index-2", false], [1779, "index-3", false], [1779, "index-4", false], [1779, "index-5", false], [1779, "index-6", false]], "sf_restrict (detci)": [[1685, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[149, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[87, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[88, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.erisieve method)": [[70, "psi4.core.ERISieve.shell_significant", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[144, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[145, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[137, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1721, "psi4.driver.aliases.sherrill_gold_standard", false]], "shift() (psi4.core.civector method)": [[12, "psi4.core.CIVector.shift", false]], "sigma() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.sigma", false]], "sigma_overlap (detci)": [[1685, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1820, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1747, "index-0", false]], "singles_print (cceom)": [[1685, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[138, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1685, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1787, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[133, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1685, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1685, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1685, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1685, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1685, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1685, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1685, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1685, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1685, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1685, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1685, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[330, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[134, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1757, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1757, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1757, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1757, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1757, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1757, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1757, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1757, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1685, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1685, "term-SOS_TYPE-OCC", true]], "soscf": [[1819, "index-3", false]], "soscf (scf)": [[1685, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1685, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1685, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1685, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1685, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1685, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[85, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.sotoao", false]], "specification": [[1814, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1736, "index-3", false]], "spin_scale_type (occ)": [[1685, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1685, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1685, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1685, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1685, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1685, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1757, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1757, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1757, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1757, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1757, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1685, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1685, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1685, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1685, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1685, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1685, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1685, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1685, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1685, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[87, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[379, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1685, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1749, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1685, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[139, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[92, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1685, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1814, "index-2", false], [1814, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[140, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1685, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1685, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1685, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1685, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1685, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1685, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1685, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1685, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1685, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1685, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1685, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1685, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1685, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1822, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (h) -> root n (i) excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (vel)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 -> root n electric transition dipole moment (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1822, "index-0", false]], "tddft": [[1822, "index-0", false]], "tdm (detci)": [[1685, "term-TDM-DETCI", true]], "tdscf": [[1822, "index-0", false], [1822, "index-1", false]], "tdscf() (in module psi4.driver)": [[399, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1685, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1685, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1685, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1685, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1685, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1685, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1685, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1685, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1685, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[278, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1685, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1685, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[257, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[279, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1757, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [285, "index-0", false], [1721, "index-1", false], [1722, "index-0", false], [1723, "index-0", false], [1734, "index-0", false], [1736, "index-1", false], [1737, "index-1", false], [1738, "index-0", false], [1744, "index-1", false], [1751, "index-0", false], [1770, "index-1", false], [1779, "index-1", false], [1780, "index-0", false], [1818, "index-0", false], [1819, "index-1", false], [1822, "index-1", false]], "thermal energy": [[1757, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1757, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[391, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1685, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1685, "term-THICKNESS-SCF", true]], "threading": [[1748, "index-6", false], [1748, "index-9", false]], "three_particle (dct)": [[1685, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[142, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1685, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1685, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1685, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1685, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1685, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[258, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[259, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[141, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[87, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[87, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[87, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[87, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[87, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1685, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1685, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[143, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.transform", false]], "transform_ci_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_ci_integrals", false]], "transform_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_mcscf_integrals", false]], "transform_tei() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1783, "index-2", false]], "translate() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1685, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1685, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1685, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1685, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1685, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1685, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1685, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[260, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[101, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[261, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[262, "psi4.core.tstop", false]], "turn_on_actv (mcscf)": [[1685, "term-TURN_ON_ACTV-MCSCF", true]], "two-electron energy": [[1757, "psivar-TWO-ELECTRON-ENERGY", false]], "twobodyaoint (class in psi4.core)": [[144, "psi4.core.TwoBodyAOInt", false]], "twoel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.twoel_Hx", false]], "twoel_hx_full() (psi4.core.rhf method)": [[129, "psi4.core.RHF.twoel_Hx_full", false]], "twoelectronint (class in psi4.core)": [[145, "psi4.core.TwoElectronInt", false]], "u (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.U", false]], "uhf (class in psi4.core)": [[146, "psi4.core.UHF", false]], "uhf_noons (scf)": [[1685, "term-UHF_NOONS-SCF", true]], "uksfunctions (class in psi4.core)": [[147, "psi4.core.UKSFunctions", false]], "uncp-corrected 2-body interaction energy": [[1757, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "unify() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify", false]], "unify_part2() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify_part2", false]], "unit() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.unit", false]], "units": [[1814, "index-2", false]], "units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.units", false]], "unnormalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Unnormalized", false]], "up (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.up", false]], "update (detci)": [[1685, "term-UPDATE-DETCI", true]], "update() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.update", false]], "update_density() (psi4.core.twobodyaoint method)": [[144, "psi4.core.TwoBodyAOInt.update_density", false]], "update_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.update_geometry", false]], "update_geometry() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.update_geometry", false]], "update_orbitals() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.update_orbitals", false]], "upgradehelper": [[280, "psi4.driver.UpgradeHelper", false]], "use_df_ints (fnocc)": [[1685, "term-USE_DF_INTS-FNOCC", true]], "use_spin_sym (psimrcc)": [[1685, "term-USE_SPIN_SYM-PSIMRCC", true]], "use_spin_symmetry (psimrcc)": [[1685, "term-USE_SPIN_SYMMETRY-PSIMRCC", true]], "using pcm": [[1784, "index-1", false]], "using pe": [[1730, "index-1", false]], "v2rdm_casscf": [[1788, "index-0", false]], "v_potential() (psi4.core.hf method)": [[85, "psi4.core.HF.V_potential", false]], "va() (psi4.core.hf method)": [[85, "psi4.core.HF.Va", false]], "val_ex_level (detci)": [[1685, "term-VAL_EX_LEVEL-DETCI", true]], "valid_methods (psi4.core.oeprop attribute)": [[112, "psi4.core.OEProp.valid_methods", false]], "validate_diis() (psi4.core.hf method)": [[85, "psi4.core.HF.validate_diis", false]], "validate_options() (psi4.core.options method)": [[115, "psi4.core.Options.validate_options", false]], "validationerror": [[281, "psi4.driver.ValidationError", false]], "value (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.value", false]], "value (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.value", false]], "value (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.value", false]], "value (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.value", false]], "value (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.value", false]], "value (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.value", false]], "value (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.value", false]], "value (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.value", false]], "value() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.value", false]], "values() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.values", false]], "variable() (in module psi4.core)": [[263, "psi4.core.variable", false]], "variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.variable", false]], "variables() (in module psi4.core)": [[264, "psi4.core.variables", false]], "variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.variables", false]], "vb() (psi4.core.hf method)": [[85, "psi4.core.HF.Vb", false]], "vbase (class in psi4.core)": [[148, "psi4.core.VBase", false]], "vdot() (psi4.core.civector method)": [[12, "psi4.core.CIVector.vdot", false]], "vecs_cc3 (cceom)": [[1685, "term-VECS_CC3-CCEOM", true]], "vecs_per_root (cceom)": [[1685, "term-VECS_PER_ROOT-CCEOM", true]], "vector (class in psi4.core)": [[149, "psi4.core.Vector", false]], "vector3 (class in psi4.core)": [[150, "psi4.core.Vector3", false]], "vector_axpy() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.vector_axpy", false]], "vector_copy() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.vector_copy", false]], "vector_dot() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.vector_dot", false]], "vector_dot() (psi4.core.vector method)": [[149, "psi4.core.Vector.vector_dot", false]], "vector_dot() (psi4.driver.p4util.solverengine static method)": [[330, "psi4.driver.p4util.SolverEngine.vector_dot", false]], "vector_multiply() (psi4.core.civector method)": [[12, "psi4.core.CIVector.vector_multiply", false]], "vector_scale() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.vector_scale", false]], "vectors() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.vectors", false]], "verbose (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.verbose", false]], "version() (in module psi4.core)": [[265, "psi4.core.version", false]], "vibanal_wfn() (in module psi4.driver)": [[400, "psi4.driver.vibanal_wfn", false]], "vibrational analysis": [[1753, "index-0", false], [1824, "index-1", false]], "vir() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.vir", false]], "visualization": [[1731, "index-0", false], [1772, "index-0", false]], "vmdpath": [[1731, "envvar-VMDPATH", false], [1731, "index-1", false]], "vmfc": [[1775, "index-1", false]], "vmfc (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.vmfc", false]], "vv10_b() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.vv10_b", false]], "vv10_c() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.vv10_c", false]], "vvals() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.Vvals", false]], "w() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.w", false]], "wabei_lowdisk (cchbar)": [[1685, "term-WABEI_LOWDISK-CCHBAR", true]], "wavefunction (class in psi4.core)": [[151, "psi4.core.Wavefunction", false]], "wcombine (scf)": [[1685, "term-WCOMBINE-SCF", true]], "webmo": [[1772, "index-0", false]], "wfn (ccdensity)": [[1685, "term-WFN-CCDENSITY", true]], "wfn (ccenergy)": [[1685, "term-WFN-CCENERGY", true]], "wfn (cceom)": [[1685, "term-WFN-CCEOM", true]], "wfn (cchbar)": [[1685, "term-WFN-CCHBAR", true]], "wfn (cclambda)": [[1685, "term-WFN-CCLAMBDA", true]], "wfn (ccresponse)": [[1685, "term-WFN-CCRESPONSE", true]], "wfn (cctransort)": [[1685, "term-WFN-CCTRANSORT", true]], "wfn (cctriples)": [[1685, "term-WFN-CCTRIPLES", true]], "wfn (detci)": [[1685, "term-WFN-DETCI", true]], "wfn (globals)": [[1685, "term-WFN-GLOBALS", true]], "wfn (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.wfn", false]], "wfn (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.wfn", false]], "wfn (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.wfn", false]], "wfn (scf)": [[1685, "term-WFN-SCF", true]], "wfn_sym (mcscf)": [[1685, "term-WFN_SYM-MCSCF", true]], "wfn_sym (psimrcc)": [[1685, "term-WFN_SYM-PSIMRCC", true]], "wfn_type (dfocc)": [[1685, "term-WFN_TYPE-DFOCC", true]], "wfn_type (occ)": [[1685, "term-WFN_TYPE-OCC", true]], "what (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.what", false]], "wiberg lowdin indices": [[1757, "psivar-WIBERG-LOWDIN-INDICES", false]], "width (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.width", false]], "wk() (psi4.core.jk method)": [[93, "psi4.core.JK.wK", false]], "write() (psi4.core.civector method)": [[12, "psi4.core.CIVector.write", false]], "write() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.write", false]], "write() (psi4.core.moldenwriter method)": [[105, "psi4.core.MoldenWriter.write", false]], "write() (psi4.core.mowriter method)": [[100, "psi4.core.MOWriter.write", false]], "write_molden() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.write_molden", false]], "write_nbo() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.write_nbo", false]], "write_nos (ccdensity)": [[1685, "term-WRITE_NOS-CCDENSITY", true]], "write_opt_history (optking)": [[1685, "term-WRITE_OPT_HISTORY-OPTKING", true]], "write_opt_result (optking)": [[1685, "term-WRITE_OPT_RESULT-OPTKING", true]], "write_scratch_file() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.write_scratch_file", false]], "write_trajectory (optking)": [[1685, "term-WRITE_TRAJECTORY-OPTKING", true]], "writer_file_label (globals)": [[1685, "term-WRITER_FILE_LABEL-GLOBALS", true]], "x() (psi4.core.blockopoints method)": [[9, 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9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1757, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1757, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1757, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1757, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1757, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1757, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1748, 10, 1, "-", "CONDA_PREFIX"], [1757, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1719, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1719, 10, 1, "-", "CRAY_ADD_RPATH"], [1757, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1757, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1757, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1757, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1757, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL 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"psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1757, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1757, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1757, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1757, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1757, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1757, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1757, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1757, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1757, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1757, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1757, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1757, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1757, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1757, 9, 1, "-", "ENTHALPY"], [1757, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1757, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1757, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1757, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1757, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1757, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1757, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1757, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1757, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1757, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1748, 10, 1, "-", "HOST"], [1757, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1719, 10, 1, "-", "MATH_ROOT"], [1757, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1757, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1757, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1757, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1757, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1757, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1757, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1757, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1757, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1757, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1748, 10, 1, "-", "MKL_NUM_THREADS"], [1719, 10, 1, "-", "MKL_ROOT"], [1731, 10, 1, "-", "MONTAGE"], [1757, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1757, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1757, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1757, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1757, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1757, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1757, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1757, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1757, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1757, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1757, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1757, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1757, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1748, 10, 1, "-", "OMP_NESTED"], [1748, 10, 1, "-", "OMP_NUM_THREADS"], [1757, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1757, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1757, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1748, 10, 1, "-", "PATH"], [1757, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1757, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1748, 10, 1, "-", "PSIDATADIR"], [1748, 10, 1, "-", "PSIPATH"], [1748, 10, 1, "-", "PSI_SCRATCH"], [1748, 10, 1, "-", "PYTHONPATH"], [1757, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1757, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1757, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1757, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1757, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1757, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1757, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1757, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1757, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1757, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1757, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1757, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1757, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1757, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1757, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1757, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1757, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1757, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1757, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1757, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1757, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1757, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; 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by M. F. Herbst and M. Scheurer", "Test Suite", "AOShellCombinationsIterator", "AngularMomentumInt", "BSVec", "BasisExtents", "BasisFunctions", "BasisSet", "BlockOPoints", "BoysLocalizer", "CCWavefunction", "CIVector", "CIWavefunction", "CUHF", "CdSalc", "CdSalcList", "CharacterTable", "CompositeJK", "CorrelationFactor", "CorrelationTable", "CubeProperties", "DASUM", "DAXPY", "DCOPY", "DDOT", "DFEP2Wavefunction", "DFHelper", "DFSOMCSCF", "DFTGrid", "DFTensor", "DGBMV", "DGEEV", "DGEMM", "DGEMV", "DGER", "DGETRF", "DGETRI", "DGETRS", "DNRM2", "DPOTRF", "DPOTRI", "DPOTRS", "DROT", "DSBMV", "DSCAL", "DSWAP", "DSYEV", "DSYMM", "DSYMV", "DSYR", "DSYR2", "DSYR2K", "DSYRK", "DSYSV", "DTBMV", "DTBSV", "DTRMM", "DTRMV", "DTRSM", "DTRSV", "Deriv", "DerivCalcType", "DiagonalizeOrder", "Dimension", "DipoleInt", "DirectJK", "DiskSOMCSCF", "Dispersion", "ERI", "ERISieve", "ESPPropCalc", "ElectricFieldInt", "ElectrostaticInt", "ExternalPotential", "FCHKWriter", "FDDS_Dispersion", "FISAPT", "FittedSlaterCorrelationFactor", "FittingMetric", "FragmentType", "Functional", "GaussianShell", "GaussianType", "GeometryUnits", "HF", "IDAMAX", "IO", "IOManager", "IntVector", "IntegralFactory", "IntegralTransform", "IrreducibleRepresentation", "JK", "KineticInt", "LS_THC_Computer", "LaplaceDenominator", "LibXCFunctional", "Localizer", "MOSpace", "MOWriter", "Matrix", "MatrixFactory", "MemDFJK", "MintsHelper", "MoldenWriter", "MolecularGrid", "Molecule", "MultipoleInt", "MultipoleSymmetry", "NablaInt", "NumIntHelper", "OEProp", "OneBodyAOInt", "OneBodySOInt", "Options", "OrbitalSpace", "OverlapInt", "PMLocalizer", "PetiteList", "PointFunctions", "PointGroup", "PotentialInt", "PrimitiveType", "Prop", "ProtoIntVector", "ProtoVector", "PsiReturnType", "QuadrupoleInt", "RHF", "RKSFunctions", "ROHF", "SADGuess", "SOBasisSet", "SOMCSCF", "SalcComponent", "SaveType", "ShellInfo", "Slice", "SuperFunctional", "SymmetryOperation", "TLaplaceDenominator", "ThreeCenterOverlapInt", "TracelessQuadrupoleInt", "TwoBodyAOInt", "TwoElectronInt", "UHF", "UKSFunctions", "VBase", "Vector", "Vector3", "Wavefunction", "array_variable", "array_variables", "be_quiet", "benchmark_blas1", "benchmark_blas2", "benchmark_blas3", "benchmark_disk", "benchmark_integrals", "benchmark_math", "ccdensity", "ccenergy", "cceom", "cchbar", "cclambda", "ccresponse", "cctransort", "cctriples", "clean", "clean_options", "clean_timers", "clean_variables", "close_outfile", "dct", "del_array_variable", "del_scalar_variable", "del_variable", "detci", "dfmp2", "dfocc", "dlpno", "dmrg", "doublet", "dpdbuf4", "dpdfile2", "dummy_einsums", "dummy_integratorxx", "fcidump_tei_helper", "finalize", "flush_outfile", "fnocc", "get_active_molecule", "get_array_variable", "get_array_variables", "get_datadir", "get_global_option", "get_global_option_list", "get_local_option", "get_memory", "get_num_threads", "get_option", "get_options", "get_output_file", "get_variable", "get_variables", "get_writer_file_prefix", "git_version", "has_array_variable", "has_global_option_changed", "has_local_option_changed", "has_option_changed", "has_scalar_variable", "has_variable", "initialize", "libint2_solid_harmonics_ordering", "mcscf", "mrcc_generate_input", "mrcc_load_densities", "occ", "option_exists_in_module", "options_to_python", "outfile_name", "plugin", "plugin_close", "plugin_close_all", "plugin_load", "prepare_options_for_module", "print_global_options", "print_options", "print_out", "print_variables", "psi_top_srcdir", "psimrcc", "psio_entry", "reopen_outfile", "revoke_global_option_changed", "revoke_local_option_changed", "sapt", "scalar_variable", "scalar_variables", "scatter", "scfgrad", "scfhess", "set_active_molecule", "set_array_variable", "set_datadir", "set_global_option", "set_global_option_python", "set_local_option", "set_local_option_python", "set_memory_bytes", "set_num_threads", "set_output_file", "set_psi_file_prefix", "set_scalar_variable", "set_variable", "test_matrix_dpd_interface", "timer_off", "timer_on", "triplet", "tstart", "tstop", "variable", "variables", "version", "AtomicComputer", "ConvergenceError", "EmpiricalDispersion", "ManagedMethodError", "MissingMethodError", "OptimizationConvergenceError", "ParsingError", "PastureRequiredError", "PsiException", "QMMM", "QMMMbohr", "SCFConvergenceError", "TDSCFConvergenceError", "TestComparisonError", "UpgradeHelper", "ValidationError", "activate", "banner", "basis_helper", "cbs", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "create_plugin", "cubeprop", "docs_table_link", "dynamic_variable_bind", "energies_from_fcidump", "energy", "fchk", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "freq", "frequencies", "frequency", "gdma", "geometry", "get_memory", "gradient", "hessian", "ipi_broker", "levenshtein", "libint2_configuration", "libint2_print_out", "mdi_run", "message_box", "molden", "molecule_get_attr", "molecule_set_attr", "oeprop", "opt", "optimize", "optimize_geometric", "DIIS", "Gaussian", "InPsight", "Lineshape", "Lorentzian", "OptionState", "OptionsState", "OptionsStateCM", "SolverEngine", "all_casings", "array_to_matrix", "banner", "basis_helper", "block_diagonal_array", "cg_solver", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "cubeprop", "davidson_solver", "docs_table_link", "drop_duplicates", "energies_from_fcidump", "expand_psivars", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "format_molecule_for_input", "format_options_for_input", "free_atom_volumes", "get_memory", "get_psifile", "getattr_ignorecase", "hamiltonian_solver", "hold_options_state", "import_ignorecase", "kwargs_lower", "levenshtein", "libint2_configuration", "libint2_print_out", "mat2arr", "message_box", "oeprop", "pcm_helper", "plump_qcvar", "prefactor_ecd", "prefactor_opa", "prepare_options_for_modules", "prepare_options_for_set_options", "provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_ALGORITHM</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">DOI_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DOI_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DOI_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DOI_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">LS_THC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">LS_THC_DF</span>", "<span class=\"xref std std-term\">LS_THC_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">LS_THC_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_S_EPSILON</span>", "<span class=\"xref std std-term\">LS_THC_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "A24alt", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "titleterms": {"": [885, 1211, 1716, 1719, 1727, 1740, 1755, 1766, 1818], "0": 1802, "1": [1714, 1751, 1819], "2": 1769, "2nd": 1737, "3": 1769, "3rc1": 1769, "4": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1719, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 1783, 1785, 1791, 1795, 1796, 1797, 1798, 1799, 1800, 1805, 1806, 1808, 1811, 1814, 1819, 1825], "8": 1769, "82": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 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1784, 1795, 1820], "interfrag_collinear_tol": [1227, 1334], "interfrag_coord": [1227, 1335], "interfrag_dist_inv": [1227, 1336], "interfrag_hess": [1227, 1337], "interfrag_mod": [1227, 1338], "interfrag_step_limit": [1227, 1339], "interfragment_connect": [1227, 1340], "intermedi": 1689, "intermolecular": [1809, 1825], "intern": [1207, 1227, 1720, 1762], "internal_rot": [1184, 1223], "interpret": 1818, "intrafrag_hess": [1227, 1341], "intrafrag_step_limit": [1227, 1342], "intrafrag_step_limit_max": [1227, 1343], "intrafrag_step_limit_min": [1227, 1344], "intramolecular": 1751, "introduct": [1731, 1737, 1744, 1762, 1779, 1798, 1799, 1819, 1822], "ints_toler": [416, 741, 906, 1054, 1199, 1209, 1213, 1219, 1225, 1231, 1232, 1235, 1453, 1567, 1818], "intvector": 89, "invok": [1719, 1812], "io": 87, "iomanag": 88, "ip": [1738, 1786], "ip_pol": [1226, 1265], "ipi_brok": 309, "irc_direct": [1227, 1345], "irc_point": [1227, 1346], "irc_step_s": [1227, 1347], "irreduc": 1814, 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1232, 1572], "local_method": [445, 483, 522, 546, 1200, 1201, 1203, 1204], "local_pairdef": [446, 523, 547, 1200, 1203, 1204], "local_precondition": [484, 1201], "local_use_ghost": [1062, 1219], "local_weakp": [447, 485, 524, 548, 1200, 1201, 1203, 1204], "locat": 1767, "lock_singlet": [1230, 1413], "log": 1719, "logo": 1719, "long": [1682, 1739, 1769], "loop": 1813, "lorentzian": 326, "low": 1791, "ls_thc_basis_toler": [1132, 1222], "ls_thc_comput": 95, "ls_thc_df": [1133, 1222], "ls_thc_pruning_schem": [1134, 1222], "ls_thc_radial_point": [1135, 1222], "ls_thc_s_epsilon": [1136, 1222], "ls_thc_spherical_point": [1137, 1222], "ls_thc_weights_toler": [1138, 1222], "lse": [840, 1211], "lse_collaps": [841, 1211], "lse_toler": [842, 1211], "lto": 1727, "m": [1, 1730, 1735, 1743, 1765, 1773], "mac": 1719, "macport": 1719, "made": [1809, 1825], "madmp2_sleep": [907, 1213], "mai": 1719, "make_shar": 1802, "manag": [1717, 1767, 1768, 1790], "managedmethoderror": 269, "mani": 1752, "manipul": 1738, "manual": [1728, 1745, 1758], "map": 1745, "mark": 1802, "marqu": 1765, "mat2arr": 364, "mat_num_column_print": [1139, 1222], "math": 1745, "matric": 1211, "matrix": [101, 1727, 1762, 1778, 1791], "matrixfactori": 102, "max_attempt": [1232, 1573], "max_ccd_diisvec": [1231, 1454], "max_disp_g_converg": [1227, 1348], "max_energy_g_converg": [1227, 1349], "max_force_g_converg": [1227, 1350], "max_mem_buf": [1232, 1574], "max_mograd_converg": [931, 1214, 1226, 1267, 1779], "max_num_vec": [1, 405, 843, 1198, 1211], "max_radial_mo": [1140, 1222], "maxit": [1, 406, 448, 486, 525, 549, 742, 1063, 1081, 1186, 1198, 1200, 1201, 1203, 1204, 1209, 1219, 1220, 1223, 1229, 1230, 1231, 1232, 1389, 1414, 1455, 1575, 1723, 1730, 1752, 1818], "mbis_d_converg": [1141, 1222], "mbis_maxit": [1142, 1222], "mbis_pruning_schem": [1143, 1222], "mbis_radial_point": [1144, 1222], "mbis_spherical_point": [1145, 1222], "mcscf": [216, 1211, 1223, 1663, 1770], "mcscf_algorithm": [844, 1211, 1770], 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     <div class="footer" role="contentinfo">
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1737,7 +1737,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/thermo.html b/sphinxman/master/thermo.html
index fe92533d8c3..3cfdefc6005 100644
--- a/sphinxman/master/thermo.html
+++ b/sphinxman/master/thermo.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/thermo.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -281,7 +281,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/thermo.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/tutorial.html b/sphinxman/master/tutorial.html
index 6b562272fea..2b871fc8173 100644
--- a/sphinxman/master/tutorial.html
+++ b/sphinxman/master/tutorial.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=5486f281"></script>
+    <script src="_static/documentation_options.js?v=37d5628d"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/tutorial.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -715,7 +715,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/tutorial.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/ba20dd4">1.10a1.dev47</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -729,7 +729,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 03:24AM.
+      Last updated on Thursday, 08 August 2024 04:38PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->