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@dependabot dependabot bot commented on behalf of github May 30, 2022

Bumps pymatgen from 2022.0.17 to 2022.5.26.

Release notes

Sourced from pymatgen's releases.

v2022.5.26

v2022.5.19

  • Added option for addtional criteria to be passed to MPRester.get_entries_in_chemsys (@​shyuep).

v2022.5.18.1

  • Initial support for parsing ML MD runs from vasprun.xml (@​shyuep).

v2022.5.18

  • Bug fix for sulfide_type. Sometimes symmetry analysis fails because of tolerance issues. A fallback to analyze all sites.

v2022.5.17

v2022.4.26

  • Fix dipole units in recent vasp versions (at least 6.3, maybe even before) (@@​fraricci)
  • Removed complex numbers from the definition of WSWQ (@​jmmshn)
  • MP database version logging is now no longer logged in the .pmgrc.yaml but rather in the .mprester.log.yaml. This avoids the MPRester constantly rewriting a config file and causing users' pymatgen to completely fail.

v2022.4.19

No release notes provided.

v2022.3.29

v2022.3.24

  • Emergency bugfix release to fix circular import (@​janosh)

v2022.3.22

  • Support kwargs for ASE adaptor. (@​arosen93)
  • Fix for cation error in Lobster analysis. (@​JaGeo)
  • Major revampt of Abstract interface for Input classes in IO. (@​rkingsbury)

v2022.3.7

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2022.5.26

v2022.5.19

  • Added option for addtional criteria to be passed to MPRester.get_entries_in_chemsys (@​shyuep).

v2022.5.18.1

  • Initial support for parsing ML MD runs from vasprun.xml (@​shyuep).

v2022.5.18

  • Bug fix for sulfide_type. Sometimes symmetry analysis fails because of tolerance issues. A fallback to analyze all sites.

v2022.5.17

v2022.4.26

  • Fix dipole units in recent vasp versions (at least 6.3, maybe even before) (@​fraricci)
  • Removed complex numbers from the definition of WSWQ (@​jmmshn)
  • MP database version logging is now no longer logged in the .pmgrc.yaml but rather in the .mprester.log.yaml. This avoids the MPRester constantly rewriting a config file and causing users' pymatgen to completely fail.

v2022.4.19

  • Fix for discharged and charged entries in conversion battery. (@​peikai)pylint in .pre-commit-config.yaml.
  • Allow skipping of structure reduction in StructureMatcher.group_structures (@​lan496)
  • Return NotImplemented for composition comparison methods. (@​janosh)
  • BSPlotter bug fixes (@​fraricci)
  • Misc bug fixes and deprecation fixes.

v2022.3.29

v2022.3.24

  • Emergency bugfix release to fix circular import (@​janosh)

... (truncated)

Commits
  • 13cac90 Update changelog for v2022.5.26
  • 573bc8f Set version to v2022.5.26
  • 6bbe18e Merge pull request #2521 from samblau/qchem
  • 67f7138 Merge pull request #2531 from janosh/fix-mprester-typeerror-on-empty-pmgrc
  • a687dab fix MPRester.init raising "TypeError: NoneType object is not iterable" on...
  • e66befb typos
  • 0bf3c4c Merge branch 'master' into qchem
  • 91c696e Parse infinite perturbation energy with test
  • 30e36f6 Merge pull request #2525 from jmmshn/main
  • c034c30 [pre-commit.ci] auto fixes from pre-commit.com hooks
  • Additional commits viewable in compare view

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.0.17 to 2022.5.26.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.0.17...v2022.5.26)

---
updated-dependencies:
- dependency-name: pymatgen
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label May 30, 2022
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dependabot bot commented on behalf of github Jul 11, 2022

Superseded by #220.

@dependabot dependabot bot closed this Jul 11, 2022
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2022.5.26 branch July 11, 2022 09:15
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