FChk: fix units for parsing MO energies#1117
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langner merged 2 commits intocclib:masterfrom Mar 22, 2022
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@@ Coverage Diff @@
## master #1117 +/- ##
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Coverage 79.77% 79.77%
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Files 69 69
Lines 13487 13487
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Hits 10759 10759
Misses 2728 2728
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amandadumi
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Mar 21, 2022
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amandadumi
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This looks good to me! The test are very nice to have.
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Closes #1068. This also tests for the energy of the first molecular orbital, which would have caught this.