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Codecov Report
@@ Coverage Diff @@
## main #35 +/- ##
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+ Coverage 70.02% 70.27% +0.25%
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Files 56 60 +4
Lines 7215 7569 +354
Branches 2105 2207 +102
==========================================
+ Hits 5052 5319 +267
- Misses 685 693 +8
- Partials 1478 1557 +79
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See https://manual.q-chem.com/5.1/sect-molinput.html