codecov-commenter
commented
1 year ago Codecov Report
Merging #150 (7a0219a) into main (d37f6c7) will decrease coverage by
0.01%. The diff coverage isn/a.
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@@ Coverage Diff @@
## main #150 +/- ##
==========================================
- Coverage 66.68% 66.68% -0.01%
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Files 331 331
Lines 73721 73720 -1
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- Hits 49159 49157 -2
- Misses 24562 24563 +1 | Impacted Files | Coverage Δ | |
|---|---|---|
| src/run_mopac.F90 | 76.31% <ø> (-0.04%) |
:arrow_down: |
Fixes #149. I consulted with Rebecca Gieseking about INDO outputs, and she considers the partial charges to be meaningful enough to report. I reinstated the standard MOPAC output block for all INDO calculations with all total-energy-like quantities suppressed, since those aren't meaningful for INDO calculations.
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