Releases: hackingmaterials/robocrystallographer
Releases · hackingmaterials/robocrystallographer
v0.2.0
- 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.
v0.1.3
v0.1.2
v0.1.1
v0.1.0
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.