Releases: Griffin-Group/quesadilla
Releases · Griffin-Group/quesadilla
v0.0.3
Preparing for public release.
What's Changed
- Write phonopy.yaml with FCs for each NDSC by @oashour in #16
- Extra test data by @oashour in #17
- Use PPOSCAR instead of POSCAR_s.._p.. by @oashour in #18
- Fix issue with PPOSCAR path by @oashour in #20
- Update docs by @oashour in #21
Full Changelog: v0.0.2...v0.0.3
v0.0.2
Initial release
What's Changed
- Full rewrite of symmetrization procedure by @oashour in #1
- Fully refactor NDSC generation and analysis by @oashour in #2
- Get rid of pymatgen as a dependency by @oashour in #11
- Better Minkowski reduction and implementation of cell # minimization by @oashour in #12
New Contributors
Full Changelog: https://github.com/oashour/quesadilla/commits/v0.0.1