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Bump pyiron-atomistics from 0.2.17 to 0.2.61 in /.dependabot#108

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Bump pyiron-atomistics from 0.2.17 to 0.2.61 in /.dependabot#108
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@dependabot dependabot Bot commented on behalf of github Dec 13, 2022

Bumps pyiron-atomistics from 0.2.17 to 0.2.61.

Release notes

Sourced from pyiron-atomistics's releases.

pyiron_atomistics-0.2.61

What's Changed

Full Changelog: pyiron/pyiron_atomistics@pyiron_atomistics-0.2.60...pyiron_atomistics-0.2.61

pyiron_atomistics-0.2.60

What's Changed

New Contributors

Full Changelog: pyiron/pyiron_atomistics@pyiron_atomistics-0.2.59...pyiron_atomistics-0.2.60

pyiron_atomistics-0.2.59

What's Changed

... (truncated)

Changelog

Sourced from pyiron-atomistics's changelog.

Unreleased

  • Add ploting functions from pyiron_contrib to StructureContainer (#710)

pyiron_atomistics-0.2.41

  • Symmetrize vectors (#576)
  • Rename unit test workflow (#572)
  • Add cache to StructureStorage.get_elements (#568)
  • Modify where number of bond types is chosen from (#561)
  • dont write kpoints file (#558)
  • replace triu by triu_indices (#539)
  • Dependency updates: #573, #560, #559, #562

pyiron_atomistics-0.2.40

  • Vasp Outcar: elegant split of electronic and ionic steps #556

pyiron_atomistics-0.2.39

  • Add save in ElasticTensor (#551)
  • Raising errors when restart files don't exist (#422)
  • Save more input variables in calc_md (#547)
  • Support cube files without atoms (#526)

pyiron_atomistics-0.2.38

  • Store VASP volumes as numpy arrays (#546)
  • Adjust n_print to be at most max_iter in calc_minimize (#541)
  • Check SPHInX output class format_black integration (#534)
  • Improve Murngahan (#531)
  • Revert "include DataConatiner check" (#533)
  • include DataConatiner check (#514)
  • Dependency updates: #538, #537, #536, #543, #548

pyiron_atomistics-0.2.37

  • Remove _QhullUser import (#527)
  • Add pint as dependency (#529)
  • Some docstrings for phono (#447)
  • Dependency updates: #522, #523, #524

pyiron_atomistics-0.2.36

pyiron_atomistics-0.2.35

  • High index surfaces (#400)

... (truncated)

Commits
  • 16f49ed Merge pull request #894 from pyiron/ci_uses_main
  • 0f33973 Merge branch 'more_masters_to_mains' into ci_uses_main
  • dce0f94 Replace more occurrences of master
  • 9b1b0c8 Rename master to main
  • def92d1 Merge pull request #588 from pyiron/spx_lazy
  • 2c426c4 Merge pull request #891 from pyiron/dependabot/pip/mendeleev-0.12.1
  • 46dfb70 Update test_periodic_table.py
  • 39bd7d0 [dependabot skip] Update environment
  • 08946e4 Bump mendeleev from 0.11.0 to 0.12.1
  • c2ab0f7 remove retina
  • Additional commits viewable in compare view

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Bumps [pyiron-atomistics](https://github.com/pyiron/pyiron_atomistics) from 0.2.17 to 0.2.61.
- [Release notes](https://github.com/pyiron/pyiron_atomistics/releases)
- [Changelog](https://github.com/pyiron/pyiron_atomistics/blob/main/CHANGELOG.md)
- [Commits](pyiron/pyiron_atomistics@pyiron_atomistics-0.2.17...pyiron_atomistics-0.2.61)

---
updated-dependencies:
- dependency-name: pyiron-atomistics
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot Bot added the dependencies Pull requests that update a dependency file label Dec 13, 2022
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dependabot Bot commented on behalf of github Jan 17, 2023

Superseded by #112.

@dependabot dependabot Bot closed this Jan 17, 2023
@dependabot dependabot Bot deleted the dependabot/pip/dot-dependabot/pyiron-atomistics-0.2.61 branch January 17, 2023 00:01
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