https://github.com/hackingmaterials/robocrystallographer - v0.2.11

• Remove circular software dependecies in MP software stack by Aaron Kaplan in https://github.com/hackingmaterials/robocrystallographer/pull/532
• Housekeeping / update project dependecies

- Python
Published by github-actions[bot] 11 months ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.10

What's Changed

• Refactor ntypesp to n_elems in code and data file to avoid pymatgen deprecation warning by @kavanase in https://github.com/hackingmaterials/robocrystallographer/pull/488
• Updating spglib attr access / improvements for MP building by @esoteric-ephemera in https://github.com/hackingmaterials/robocrystallographer/pull/487

New Contributors

• @kavanase made their first contribution in https://github.com/hackingmaterials/robocrystallographer/pull/488

Full Changelog: https://github.com/hackingmaterials/robocrystallographer/compare/v0.2.9...v0.2.10

- Python
Published by janosh over 1 year ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.9

• Update project dependencies.

- Python
Published by github-actions[bot] almost 2 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.8

• Fix compatability with matminer.

- Python
Published by github-actions[bot] almost 3 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.7

• Fix compatability with matminer.

- Python
Published by github-actions[bot] over 4 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.6

• Update project requirements.

- Python
Published by github-actions[bot] over 5 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.5

• Fix compatibility with pymatgen==2020.10.20.
• Updated package management.

- Python
Published by github-actions[bot] over 5 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.4

• Setup.py fixes.

- Python
Published by utf over 5 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.3

• Fix version bug.

- Python
Published by utf over 5 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.2

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

- Python
Published by utf over 5 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.2.1

• setup.py bug fixes.

- Python
Published by utf almost 6 years ago

https://github.com/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.

- Python
Published by utf almost 6 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.1.3

Fix Pypi installation.

- Python
Published by utf about 7 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.1.2

Fix for Pypi documentation.

- Python
Published by utf about 7 years ago

https://github.com/hackingmaterials/robocrystallographer - v0.1.1

Various minor bugfixes.

- Python
Published by utf about 7 years ago

https://github.com/hackingmaterials/robocrystallographer - 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.

- Python
Published by utf about 7 years ago