Bump pyiron-atomistics from 0.5.4 to 0.6.3

[dependabot[bot]]

Bumps pyiron-atomistics from 0.5.4 to 0.6.3.

Release notes

Sourced from pyiron-atomistics's releases.

pyiron_atomistics-0.6.3

What's Changed

• Bump phonopy from 2.24.2 to 2.24.3 by @​dependabot in pyiron/pyiron_atomistics#1464
• Update scipy to 1.14.0 by @​jan-janssen in pyiron/pyiron_atomistics#1466
• Update pint to 0.24.1 by @​jan-janssen in pyiron/pyiron_atomistics#1467
• Solvation energy 3 by @​jan-janssen in pyiron/pyiron_atomistics#1469
• parse ediel_sol from OUTCAR by @​jyang2009 in pyiron/pyiron_atomistics#1465

New Contributors

• @​jyang2009 made their first contribution in pyiron/pyiron_atomistics#1465

Full Changelog: https://github.com/pyiron/pyiron_atomistics/compare/pyiron_atomistics-0.6.2...pyiron_atomistics-0.6.3

pyiron_atomistics-0.6.2

What's Changed

• Bump phonopy from 2.23.1 to 2.24.2 by @​dependabot in pyiron/pyiron_atomistics#1450
• Vasp: Refactor bader analysis by @​jan-janssen in pyiron/pyiron_atomistics#1453
• VASP: Encapsulate the output parser in the parse_vasp_output() function by @​jan-janssen in pyiron/pyiron_atomistics#1452
• Vasp submit to executor by @​jan-janssen in pyiron/pyiron_atomistics#1454
• Merge main by @​jan-janssen in pyiron/pyiron_atomistics#1455
• Merge main by @​jan-janssen in pyiron/pyiron_atomistics#1456
• Lammps submit to executor by @​jan-janssen in pyiron/pyiron_atomistics#1451
• Additional inputs to phonopy by @​raynol-dsouza in pyiron/pyiron_atomistics#1418
• remove calc_static from DFT by @​samwaseda in pyiron/pyiron_atomistics#1457
• Update pyiron_base, pyiron_snippets, pint and structuretoolkit by @​jan-janssen in pyiron/pyiron_atomistics#1460
• Merge main by @​jan-janssen in pyiron/pyiron_atomistics#1461
• LAMMPS: Implement calculate() function by @​jan-janssen in pyiron/pyiron_atomistics#1446
• VASP: Implement get_input_file_dict() by @​jan-janssen in pyiron/pyiron_atomistics#1447
• Change index error in electronic structure to warning by @​samwaseda in pyiron/pyiron_atomistics#1459
• Update pyiron_base to 0.9.4 by @​jan-janssen in pyiron/pyiron_atomistics#1462

Full Changelog: https://github.com/pyiron/pyiron_atomistics/compare/pyiron_atomistics-0.6.1...pyiron_atomistics-0.6.2

pyiron_atomistics-0.6.1

What's Changed

• Update Mendeleev to 0.17.0 by @​jan-janssen in pyiron/pyiron_atomistics#1442
• Remove setting calculation mode in ElasticMatrixJob by @​samwaseda in pyiron/pyiron_atomistics#1443
• [patch] remove initial magnetic moments by @​samwaseda in pyiron/pyiron_atomistics#1444
• Refactor Vasp output classes by @​pmrv in pyiron/pyiron_atomistics#1426
• Do not access files accidentely in interactive output by @​pmrv in pyiron/pyiron_atomistics#1348
• Update pyiron_base to 0.9.1 by @​jan-janssen in pyiron/pyiron_atomistics#1445

Full Changelog: https://github.com/pyiron/pyiron_atomistics/compare/pyiron_atomistics-0.6.0...pyiron_atomistics-0.6.1

pyiron_atomistics-0.6.0

What's Changed

• Switch from Sphinx Documentation to Jupyterbook by @​jan-janssen in pyiron/pyiron_atomistics#1405
• Remove nglview installation from mybinder setup by @​jan-janssen in pyiron/pyiron_atomistics#1406

... (truncated)

Commits

• a0a3318 Merge pull request #1465 from pyiron/solvation_energy
• 0ea63e6 Add unit test
• ca29026 Format black
• 3ddad20 Merge pull request #1469 from pyiron/solvation_energy_3
• 714b95d parse ediel_sol from OUTCAR
• 11fb1da Merge remote-tracking branch 'refs/remotes/origin/main' into solvation_energy_3
• 17dfcfa Merge pull request #1467 from pyiron/pint
• c8331d9 Update pyproject.toml
• bd3fe0e Update environment.yml
• ac821ac Update environment.yml
• Additional commits viewable in compare view

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[dependabot[bot]]

Looks like pyiron-atomistics is up-to-date now, so this is no longer needed.