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Releases: hackingmaterials/robocrystallographer

v0.2.0

04 May 19:20
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  • 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

19 Dec 19:10
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Fix Pypi installation.

v0.1.2

19 Dec 05:57
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Fix for Pypi documentation.

v0.1.1

19 Dec 05:54
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Various minor bugfixes.

v0.1.0

18 Dec 23:55
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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.