pyiron_atomistics-0.2.60
What's Changed
- [minor] add warning when job already compressed by @samwaseda in #849
- Add methods to convert MP results to StructureStorage/list by @pmrv in #846
- Check for negative occupation by @pmrv in #847
- Bump pint from 0.19.2 to 0.20.1 by @dependabot in #850
- Codacy only for PRs, continue on error by @niklassiemer in #852
- Bump scikit-learn from 1.1.2 to 1.1.3 by @dependabot in #851
- StructureStorage: do not add extra elements by @pmrv in #848
- Adding
animate
method to Trajectory by @prince-mathews in #853 - Alternative lammps parse by @Leimeroth in #658
- Properly parse energy states and occupations by @pmrv in #832
New Contributors
- @prince-mathews made their first contribution in #853
Full Changelog: pyiron_atomistics-0.2.59...pyiron_atomistics-0.2.60