Update default off version to 2.1.1 #304
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Hello @IAlibay! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
Comment last updated at 2024-04-11 13:27:34 UTC |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #304 +/- ##
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Coverage 98.94% 98.94%
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Files 36 36
Lines 1986 1986
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Hits 1965 1965
Misses 21 21 ☔ View full report in Codecov by Sentry. |
richardjgowers
approved these changes
Apr 11, 2024
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Fixes #303
@hannahbaumann has been benchmarking with 2.1.0, but 2.1.1 should be identical with just an additional set of parameters for Xe: https://github.com/openforcefield/openff-forcefields/releases/tag/2024.01.0