Vdw presets #223
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Vdw presets #223
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #223 +/- ##
==========================================
+ Coverage 94.47% 94.54% +0.06%
==========================================
Files 20 21 +1
Lines 1484 1503 +19
==========================================
+ Hits 1402 1421 +19
Misses 82 82 ☔ View full report in Codecov by Sentry. |
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Fixes #222
Adds a new
presetparameter toVdWContactand some additional documentation/error messages on how to address missing vdW radii.