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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
  committed
  12cde8f
- update `version` and `date-released` within `CITATION.cff` file
  harryswift01
  committed
  1a5fec0
- updated description within `__init__.py` file
  harryswift01
  committed
  c51c801
- add `CITATION.cff` version update to release workflow:
  harryswift01
  committed
  9f6dc73
- Update `CODE_OF_CONDUCT.md`
  harryswift01
  committed
  94dfbbb
- update `CONTRIBUTING.md`
  harryswift01
  committed
  949d9e2
- refined `CONTRIBUTING.md` avoiding duplication with the docs
  harryswift01
  committed
  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
  committed
  c247cbb