pyiron_atomistics-0.6.2
jan-janssen
released this
21 Jun 08:10
·
480 commits
to main
since this release
What's Changed
- Bump phonopy from 2.23.1 to 2.24.2 by @dependabot in #1450
- Vasp: Refactor bader analysis by @jan-janssen in #1453
- VASP: Encapsulate the output parser in the parse_vasp_output() function by @jan-janssen in #1452
- Vasp submit to executor by @jan-janssen in #1454
- Merge main by @jan-janssen in #1455
- Merge main by @jan-janssen in #1456
- Lammps submit to executor by @jan-janssen in #1451
- Additional inputs to phonopy by @raynol-dsouza in #1418
- remove calc_static from DFT by @samwaseda in #1457
- Update pyiron_base, pyiron_snippets, pint and structuretoolkit by @jan-janssen in #1460
- Merge main by @jan-janssen in #1461
- LAMMPS: Implement calculate() function by @jan-janssen in #1446
- VASP: Implement get_input_file_dict() by @jan-janssen in #1447
- Change index error in electronic structure to warning by @samwaseda in #1459
- Update pyiron_base to 0.9.4 by @jan-janssen in #1462
Full Changelog: pyiron_atomistics-0.6.1...pyiron_atomistics-0.6.2