- Update project dependencies and address spglib deprecations by Aaron Kaplan in #487
- Update project dependencies.
- Fix compatability with matminer.
- Update project requirements.
- Fix compatibility with pymatgen==2020.10.20.
- Updated package management.
- Setup.py fixes.
- Fix version bug.
- Fixed command line symprec bug (#31).
- Fixed
--no-makeup
,--no-mineral
and--no-components
bugs (#32).
- setup.py bug fixes.
- Add robocrystallographer featurizer.
- Various grammar/typographical bug fixes
- Add html and unicode formatting options.
- Add api-key option to command line interface.
- Don't use electronegativity differences when prototype matching.
- Improve descriptions for systems with a intercalants and a single framework.
- Fix LaTeX formatting of Angstrom and degree symbols.
Fix Pypi installation.
Fix for Pypi documentation.
Various minor bugfixes.
Initial release, containing:
- Component dimensionality analysis.
- Improved structural and component formulas.
- Mineral matching.
- Molecule matching.
- Site geometry and connectivity analysis.
- Heterostructure determination.
- Structural descriptions.
robocrys
script files.