Fix #2976 #2977
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Fix #2976 #2977
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JonathonMisiewicz
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loriab
approved these changes
Jun 5, 2023
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So of the 8 alpha/beta active_occ/_vir cases that had zero or one electrons, previously this would throw with an informative message for 7 and return 0.0 for 1 (occ 1a0b), while now it returns 0.0 for all 8? Nice logic simplification. I've suggested some extra printing in case no-op wasn't intended.
susilehtola
approved these changes
Jun 6, 2023
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