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@github-actions github-actions released this 22 Oct 12:25
· 43 commits to master since this release
v0.2.0
18d0311

v0.2.0 (2024-10-22)

✨

  • ✨ .cif files can now be loaded using glob (86866a0)

  • ✨ Dihedral angles are now handled explicitly via 'dihedral' keyword/handler. (9364084)

  • ✨ Add logging, used by __main__ or when add_file_handler is called (49e8a82)

  • ✨ auto_write_unit_cell when reading cell, add corresponding setting (default True) (7cf85f0)

  • ✨ Add option and tests to save routine history (8bd79ec)

  • ✨ Routines can be now saved in a yaml file by converting Instructions back to dicts (541a328)

Other

  • Merge pull request #5 from Baharis/development

✨ Improve Routine, loading, add logging, fix dihedral handling (63d0810)

  • 📝 Add missing type hints (d6cfe05)

  • ✅ Fix logging tests where closing file in temp dir removes it (85e04e2)

  • 📝 Update docstrings (15d0ccf)

  • 🚨 Fix flake8 linting issues, mostly with instructions.py (bdf203e)

  • ⚰️ Remove unused process method registration decorators, main (17ae683)

  • 🔥 Clean newly unused code, imports (a224000)

  • ♻️ Generalize, make OOM code responsible for handling instructions (e0fa239)

Assets 4
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