What's Changed
- Enforce deterministic group ordering across entropy pipeline and fix ethyl-acetate regression test topology mismatch by @harryswift01 in #311
- Optimize RAD neighbor search and blocking loop in CodeEntropy pipeline by @harryswift01 in #312
- Trajectory Slicing by @skfegan in #316
- Fixing #317 Invalid Eigenvalues by @skfegan in #318
- Add CI workflow for updating regression test baselines by @harryswift01 in #321
- Lammps compatibility by @jkalayan in #322
- Update to version 2.2.0 by @github-actions[bot] in #323
Full Changelog: 2.1.1...2.2.0
Contributors
skfegan, jkalayan, and harryswift01