Add Support for Calculating Entropy When Forces and Coordinates Are Within Seperate Files - #175

Merged

skfegan merged 12 commits into

mainfrom

172-coordinates-and-forces-in-separate-files

Nov 10, 2025

Commits on Nov 4, 2025

Merging forces from separate trajectory file
skfegan
committed
9a796ed

Commits on Nov 5, 2025

correcting merge universe and adding to the docs
skfegan
committed
8209f87

Commits on Nov 7, 2025

adding kcal_force_unit input parameter to get forces correct
skfegan
committed
1ffc3c3

Commits on Nov 10, 2025

include orcid information for `Harry Swift` within `CITATION.cff` file
harryswift01
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12cde8f
update `version` and `date-released` within `CITATION.cff` file
harryswift01
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1a5fec0
updated description within `__init__.py` file
harryswift01
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c51c801
add `CITATION.cff` version update to release workflow:
harryswift01
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9f6dc73
Update `CODE_OF_CONDUCT.md`
harryswift01
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94dfbbb
update `CONTRIBUTING.md`
harryswift01
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949d9e2
refined `CONTRIBUTING.md` avoiding duplication with the docs
harryswift01
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993535a
Bump softprops/action-gh-release from 2.4.1 to 2.4.2

dependabot[bot]
authored and
harryswift01
committed
5c03f80
add atomic unit tests for force merge logic in `run_entropy_workflow`:
harryswift01
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c247cbb