bsym -

Update to fix compatibility with pymatgen >= v2022.0

Scientific Software - Peer-reviewed - Python
Published by bjmorgan almost 5 years ago

bsym -

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 7 years ago

bsym - JOSS accepted version

Archival version "as accepted" to JOSS: https://github.com/openjournals/joss-reviews/issues/370

Changes for issues raised in review:

• A bug, where submodules were not installing correctly using pip, has been fixed.
• The full configuration degeneracy is now preserved over a series of site substitutions.
• Examples using the pymatgen interface to auto-generate SymmetryGroup and ConfigurationSpace objects have been added to the example Jupyter notebook.

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 8 years ago

bsym - 1.0 beta 6

(hopefully) fixed PyPI installation via pip.

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 8 years ago

bsym -

2nd beta release.

• x3 speed-up for enumerating symmetry-inequivalent structures.
• cleaned up docs and examples (typos etc.).
• Indexed on PyPI. Installation can now use pip install bsym.

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 8 years ago

bsym - First public beta of v 1.0

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 8 years ago

bsym -

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 8 years ago

bsym -

Includes updates to reflect the newer pymatgen API, and removes a critical bug due to implicitly relying of dictionary ordering.

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 8 years ago

bsym - 2016-07-15-bsym

Version bump to generate a Zenodo doi

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 9 years ago

bsym -

First archival release of bsym

Scientific Software - Peer-reviewed - Python
Published by bjmorgan over 9 years ago