ADF: set unknown core MO energies to NaN #1414
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #1414 +/- ##
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Coverage 81.60% 81.60%
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Files 73 73
Lines 14964 14964
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Hits 12212 12212
Misses 2752 2752 ☔ View full report in Codecov by Sentry. |
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Part of reverting breaking changes on default branch (cclib#1482)
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Part of reverting breaking changes on default branch (cclib#1482)
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Part of reverting breaking changes on default branch (cclib#1482)
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It doesn't make sense for set an unknown to a really large number when there is a better way of representing a numeric unknown.