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@dependabot dependabot bot commented on behalf of github Jul 11, 2022

Bumps pymatgen from 2022.0.17 to 2022.7.8.

Release notes

Sourced from pymatgen's releases.

v2022.7.8

Welcome to new contributors @​naveensrinivasan, @​xivh, @​dgaines2, @​yang-ruoxi, @​cajfisher and @​mjwen!

What's Changed

Notice

Functionality from pymatgen.analysis.defects will be incorporated into a separate add-on package in the future, see pymatgen-analysis-defects and deprecation notice in the code for more information.

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

  • PR #2518 from @​JaGeo. Fixed wrong line in ICOHPLIST.lobster being read to assess whether orbitalwise interactions are included in these files.
  • PR #2520 from @​arosen93. Adds a new property to the PointGroupAnalyzer: the rotational symmetry number.

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2022.7.8

Welcome to new contributors @​naveensrinivasan, @​xivh, @​dgaines2, @​yang-ruoxi, @​cajfisher and @​mjwen!

Notice: functionality from pymatgen.analysis.defects will be incorporated into a separate add-on package in the future, see deprecation notice.

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.

... (truncated)

Commits

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.0.17 to 2022.7.8.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.0.17...v2022.7.8)

---
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 Jul 11, 2022
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dependabot bot commented on behalf of github Jul 25, 2022

Superseded by #222.

@dependabot dependabot bot closed this Jul 25, 2022
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2022.7.8 branch July 25, 2022 09:07
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