pyiron_atomistics-0.3.0.dev.0
Pre-release
Pre-release
·
1980 commits
to main
since this release
Testing a pre-release
What's Changed
- Use remove_jobs() rather than remove_jobs_silently() by @jan-janssen in #1079
- flux calculator support for VASP by @jan-janssen in #1080
- Update pyiron_base to 0.6.1 by @jan-janssen in #1081
- Bump mendeleev from 0.13.1 to 0.14.0 by @dependabot in #1082
- Bump structuretoolkit from 0.0.3 to 0.0.5 by @dependabot in #1083
- Move structure.calc setting into the initializer by @liamhuber in #1068
- Fix SPHInX integration tests by @samwaseda in #1086
- Allow to plot not converged Murnaghans by @pmrv in #1088
- StructureStorage: Add a few more plots and add options by @pmrv in #1062
- Bump h5py from 3.8.0 to 3.9.0 by @dependabot in #1091
- Bump pymatgen from 2023.5.31 to 2023.6.23 by @dependabot in #1092
- Bump scipy from 1.10.1 to 1.11.0 by @dependabot in #1090
- Bump pymatgen from 2023.6.23 to 2023.6.28 by @dependabot in #1095
- Bump scikit-learn from 1.2.2 to 1.3.0 by @dependabot in #1099
- Bump pandas from 2.0.2 to 2.0.3 by @dependabot in #1097
Full Changelog: pyiron_atomistics-0.3.0...pyiron_atomistics-0.3.0.dev.0