bugfix

bugfix - some files use a different geometry specification creating empty files or crashes...
DetlevCM · Jul 30, 2015 · 31585e7 · 31585e7
1 parent 84ab324
commit 31585e7
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diff --git a/Release Makefile/g09 atom distance.exe b/Release Makefile/g09 atom distance.exe
diff --git a/source/Process_Files.cpp b/source/Process_Files.cpp
@@ -23,7 +23,8 @@ void ProcessFile(vector< OptPoints >& GaussianData ,ifstream& DataInputFile)
 
 		getline(DataInputFile,line);
 
-		size_t found = line.find("Input orientation:");
+		//size_t found = line.find("Input orientation:");
+		size_t found = line.find("Standard orientation:");
 
 		if (found!=string::npos) // We have found a Z-Matrix
 		{