NWChem: thermochemistry parsing cleanup #1413
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #1413 +/- ##
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+ Coverage 81.58% 81.60% +0.02%
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Files 73 73
Lines 14963 14964 +1
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+ Hits 12208 12212 +4
+ Misses 2755 2752 -3 ☔ View full report in Codecov by Sentry. |
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The old test outputs were missing SCF energies, which are necessary for computing all thermochemistry properties.