Closed robertodr closed 9 months ago
Attention: 5 lines
in your changes are missing coverage. Please review.
Comparison is base (
887a887
) 69.25% compared to head (2a828ae
) 69.90%.
Files | Patch % | Lines |
---|---|---|
src/environment/SCRF.cpp | 80.95% | 4 Missing :warning: |
src/environment/StepFunction.h | 0.00% | 1 Missing :warning: |
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After fixing a bug with handling of default radii (I opened a separate PR with just that fix) everything, nonequilibrium solvation included, seems to run smoothly and match up with GTO results from G16. I need to add a couple of tests and then it's good to go.
Rehash of #456