v0.3.0
What's Changed
- Improve reporting of symmetry and constraints by @oerc0122 in #128
- Add parsing for CoM removal by @oerc0122 in #129
- Add deltascf parsing by @oerc0122 in #130
- Refactor efield parser by @oerc0122 in #147
- Improve jupyter book docs by @oerc0122 in #219
- Pin ruamel to improve test stability by @oerc0122 in #240
- Fix pspot projector regex by @jkshenton in #238
- Deprecate Python 3.9 and fix ruff upgrade issues by @oerc0122 in #235
- Update ruff to 15.7 and fix issues by @oerc0122 in #244
- Pin jupyter book to version 1 to ensure compatibility by @oerc0122 in #242
- Generated "Core" file actually called "elnes" by @oerc0122 in #239
- Port docs to sphinx and update actions by @oerc0122 in #245
- Ready castep_outputs for a tool import by @oerc0122 in #220
- Make the MD/Geom reader slightly more defensive by @oerc0122 in #236
- Move
MDGeomParserinto castep_outputs by @oerc0122 in #218 - Fix some miscellaneous typing issues by @oerc0122 in #247
- Rework binary reader to be more descriptive by @oerc0122 in #248
- Fix some get_generated_files and docs issues by @oerc0122 in #249
Full Changelog: v0.2.0...v0.3.0