Add new option for packing.solvate #1144
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Codecov ReportAll modified lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #1144 +/- ##
=======================================
Coverage 87.12% 87.13%
=======================================
Files 62 62
Lines 6455 6457 +2
=======================================
+ Hits 5624 5626 +2
Misses 831 831
☔ View full report in Codecov by Sentry. |
Co-authored-by: CalCraven <[email protected]>
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PR Summary:
Add option to (not) center the solute in
mb.packing.solvate, will address #974. Pending unit test.PR Checklist