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Bump pymatgen from 2022.8.23 to 2022.9.21 #325

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merged 1 commit into from
Sep 22, 2022

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@dependabot dependabot bot commented on behalf of github Sep 22, 2022

Bumps pymatgen from 2022.8.23 to 2022.9.21.

Release notes

Sourced from pymatgen's releases.

v2022.9.21

v2022.9.8

  • @​janosh Add AirssProvider.as_dict
  • @​gpetretto Outcar parsing optimization.
  • @​ScottNotFound Adds res file io to handle results from airss searches
  • @​janosh Fixes the AttributeError currently raised when passing disordered structures to methods like get_cn() and get_bonded_structure() of CrystalNN and other NearNeighbors subclasses.
Changelog

Sourced from pymatgen's changelog.

v2022.9.21

v2022.9.8

  • @​janosh Add AirssProvider.as_dict
  • @​gpetretto Outcar parsing optimization.
  • @​ScottNotFound Adds res file io to handle results from airss searches
  • @​janosh Fixes the AttributeError currently raised when passing disordered structures to methods like get_cn() and get_bonded_structure() of CrystalNN and other NearNeighbors subclasses.
  • @​naik-aakash Added new option standard_with_comp_range for generating lobsterin files using vasp
Commits
  • 6c23d74 Update docs
  • f098e06 Update changelog.
  • 60f0b67 Fix API key in pmgrc.yaml file not being respected for new MPRester.
  • 85e4514 Merge pull request #2662 from janosh/gh-2657
  • 2d3b25f add PatchedPhaseDiagramTest.test_raises_on_missing_terminal_entries()
  • fc05c38 add attr dim to PatchedPhaseDiagram
  • 641bcb9 fix PatchedPhaseDiagram ValueError: max() arg is an empty sequence on 0 subsp...
  • a9a1d48 Merge pull request #2656 from janosh/gh-2655
  • 34460ce replace set1.difference(set2) with set1 - set2
  • 4b64fbf remove single use of 3rd party pkg urllib3
  • Additional commits viewable in compare view

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.8.23 to 2022.9.21.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.8.23...v2022.9.21)

---
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 Sep 22, 2022
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Pull Request Test Coverage Report for Build 3105793256

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • 5 unchanged lines in 1 file lost coverage.
  • Overall coverage decreased (-0.2%) to 80.164%

Files with Coverage Reduction New Missed Lines %
pymatgen/analysis/diffusion/aimd/clustering.py 5 83.7%
Totals Coverage Status
Change from base Build 2979309221: -0.2%
Covered Lines: 1657
Relevant Lines: 2067

💛 - Coveralls

@shyuep shyuep merged commit 94377c7 into master Sep 22, 2022
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2022.9.21 branch September 22, 2022 14:46
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