From 821d7c449c8ccb55c33b6c930baee2c9e8472aa0 Mon Sep 17 00:00:00 2001 From: marvinfriede <51965259+marvinfriede@users.noreply.github.com> Date: Fri, 22 Dec 2023 10:33:04 +0100 Subject: [PATCH] Fix docs --- README.rst | 1 + docs/index.rst | 3 ++- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/README.rst b/README.rst index dfb3151..145b092 100644 --- a/README.rst +++ b/README.rst @@ -140,6 +140,7 @@ The following example shows how to calculate the DFT-D4 dispersion energy for a import torch import tad_dftd4 as d4 + import tad_mctc as mctc numbers = mctc.convert.symbol_to_number(symbols="C C C C N C S H H H H H".split()) diff --git a/docs/index.rst b/docs/index.rst index 8c08fc3..42ba698 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -56,8 +56,9 @@ The following example shows how to calculate the DFT-D4 dispersion energy for a import torch import tad_dftd4 as d4 + import tad_mctc as mctc - numbers = d4.utils.to_number(symbols="C C C C N C S H H H H H".split()) + numbers = mctc.convert.symbol_to_number(symbols="C C C C N C S H H H H H".split()) # coordinates in Bohr positions = torch.tensor(