v0.2.0

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)