Add Molpro 2018 unit tests but do not enable them#872
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shivupa merged 2 commits intocclib:masterfrom Aug 3, 2020
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@berquist Is something wrong with this, or is it just not complete? If the latter, perhaps submitting part of what you want is a good step forward? |
berquist
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Done. |
shivupa
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Jul 6, 2020
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I am going to merge this |
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Closes #735
The molecular orbital coefficient section has changed quite a bit. This adds the inputs and outputs first, and updating the parser with fixes will come later.