pyiron_atomistics-0.2.63
liamhuber
released this
13 Mar 17:40
·
2109 commits
to main
since this release
What's Changed
- 📝 Add new exception for calc_minimize. by @KuhnMn in #933
- Bump matplotlib from 3.6.2 to 3.6.3 by @dependabot in #931
- Bump pandas from 1.5.2 to 1.5.3 by @dependabot in #936
- Fix ase selective dynamics read bug by @ligerzero-ai in #934
- Sx run addon by @freyso in #829
- Fix SPHInX bandstructure restarts by @freyso in #908
- Fix integration tests by @jan-janssen in #940
- Removes implicit assumption of sorting from potcar gen by @ligerzero-ai in #943
- Don't reconstitute job object in pyiron table func by @ligerzero-ai in #945
- Revert "Don't reconstitute job object in pyiron table func" by @ligerzero-ai in #946
- Bump scikit-learn from 1.2.0 to 1.2.1 by @dependabot in #947
- Bump numpy from 1.24.1 to 1.24.2 by @dependabot in #952
- Bump h5py from 3.7.0 to 3.8.0 by @dependabot in #948
- Bump mp-api from 0.30.5 to 0.30.8 by @dependabot in #935
- Bump mp-api from 0.30.8 to 0.30.9 by @dependabot in #955
- LAMMPS: Enable setting external MPI communicators by @jan-janssen in #957
- Bump mp-api from 0.30.9 to 0.30.10 by @dependabot in #963
- Bump matplotlib from 3.6.3 to 3.7.0 by @dependabot in #965
- [minor] Remove check_consistency which is not used by @samwaseda in #961
- Clean up Murnaghan HDF5 storeage by @jan-janssen in #960
- Bump pyiron-base from 0.5.31 to 0.5.32 by @dependabot in #954
Full Changelog: pyiron_atomistics-0.2.62...pyiron_atomistics-0.2.63