codecov[bot]
commented
10 months ago Codecov Report
Merging #182 (67bad0e) into main (a17ca91) will increase coverage by
0.00%. Report is 1 commits behind head on main. The diff coverage is28.57%.
@@ Coverage Diff @@
## main #182 +/- ##
=======================================
Coverage 66.80% 66.81%
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Files 331 331
Lines 74014 74024 +10
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+ Hits 49448 49456 +8
- Misses 24566 24568 +2 | Files | Coverage Δ | |
|---|---|---|
| src/input/getdat.F90 | 43.85% <100.00%> (+0.23%) |
:arrow_up: |
| src/compfg.F90 | 73.05% <0.00%> (ø) |
|
| src/models/refer.F90 | 57.60% <0.00%> (+0.45%) |
:arrow_up: |
| src/moldat.F90 | 62.96% <0.00%> (ø) |
|
| src/input/wrtkey.F90 | 64.62% <58.33%> (+0.03%) |
:arrow_up: |
| src/output/writmo.F90 | 69.90% <0.00%> (ø) |
|
| src/forces/deriv.F90 | 49.73% <0.00%> (ø) |
Jimmy Stewart provided a few minor updates and fixes associated with the release of PM6-ORG. Also, I discussed the recent issues regarding pressure with him and as a result, I've flipped the internal sign of pressure to match the user-inputted pressure and added an explanatory comment about the formula for the pressure-dependence of derivatives.
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