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openmm / openmmforcefields Public

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Add compatibility with openforcefield 0.7.0#121

Merged

jchodera merged 6 commits intomasteropenmm/openmmforcefields:masterfrom fix-off-chargesopenmm/openmmforcefields:fix-off-chargesCopy head branch name to clipboard

Jun 24, 2020

+17-5

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Jun 24, 2020

Add compatibility with openforcefield 0.7.0
jchodera
committed
Fix tests
jchodera
committed
Fix handling of Molecule.total_charge
jchodera
committed
Fix tests
jchodera
committed
Fix test failing with openforcefield < 0.7.0
jchodera
committed
Update changelog
jchodera
committed

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