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StollLab / chiLife Public

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New Examples: Trajectory analysis and OpenMM Energy function#183

Merged

mtessmer merged 8 commits intomainStollLab/chiLife:mainfrom

omm_efStollLab/chiLife:omm_efCopy head branch name to clipboard

Feb 17, 2025

Conversation Commits8 (8)Checks Files changed

Merged

New Examples: Trajectory analysis and OpenMM Energy function#183
mtessmer merged 8 commits intomainfrom
omm_ef

Commits

Commits on Feb 14, 2025

Remove logging info, remove energy_func from input_kwargs to allow self.copy() (RotEns)
mtessmer
committed
Bump version
mtessmer
committed

Commits on Feb 15, 2025

Update test
mtessmer
committed
Refactor mutate. Clean up repack code. Fix broken test
mtessmer
committed

Commits on Feb 17, 2025

Add 2 new examples
mtessmer
committed
Update docs to include new examples
mtessmer
committed
Add new examples to readme updates
mtessmer
committed
Alter test to be more specific
mtessmer
committed

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