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openforcefield / openff-interchange Public

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Error when non-bonded 1-4 scaling factors differ significantly#1153

Merged

mattwthompson merged 5 commits intomainopenforcefield/openff-interchange:mainfrom error-combine-mixed-14openforcefield/openff-interchange:error-combine-mixed-14Copy head branch name to clipboard

Feb 6, 2025

+86-11

Conversation Commits5 (5)Checks Files changed

Commits

Commits on Jan 30, 2025

TST: Add test for combining mixed 1-4 vdW and/or electrostatics
mattwthompson
committed
ENH: Error when 1-4 scaling factors don't match
mattwthompson
committed
FIX: Up-convert 0.833333 to 0.8333333333
mattwthompson
committed

Commits on Feb 5, 2025

Update docs/using/edges.md

mattwthompson
and
lilyminium
authored
Merge remote-tracking branch 'upstream/main' into error-combine-mixed-14
mattwthompson
committed

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