Change Log

[Unreleased]

v0.2.3

  • Fix version bug.

v0.2.2

  • Fixed command line symprec bug (#31).
  • Fixed --no-makeup, --no-mineral and --no-components bugs (#32).

v0.2.1

  • setup.py bug fixes.

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

Fix Pypi installation.

v0.1.2

Fix for Pypi documentation.

v0.1.1

Various minor bugfixes.

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.