theochem / horton

HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
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Detect broken molden files from Turbomole and fix #229

Closed tovrstra closed 7 years ago

tovrstra commented 7 years ago

Also a mistake in the ordering of Cartesian G functions got fixed.

tovrstra commented 7 years ago

@matt-chan or @FarnazH : it would be great if you could you take a quick look at the changes but I understand that you could be too busy. The changes should be ok. This PR make it possible to load erroneous molden files generated by Turbomole. Two other things were changed as well:

Thanks!