hackingmaterials / automatminer

An automatic engine for predicting materials properties.
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Bump pymatgen from 2020.01.28 to 2020.12.31 #359

Closed dependabot-preview[bot] closed 3 years ago

dependabot-preview[bot] commented 3 years ago

Bumps pymatgen from 2020.01.28 to 2020.12.31.

Release notes

Sourced from pymatgen's releases.

v2020.12.31

  • End of 2020 release with minor bug fixes for cli scripts.

v2020.12.18

  • New IsayevNN nearest-neighbor algorithm (@utf, #2011)
  • Improvements to electrode objects (@jmmshn, #2016)
  • Improvements to Element and PhaseDiagram (@jmmshn, #2005)
  • Bug fix to increase minimum version of setuptools which was causing incompatible versions of numpy to be installed for some users (@shyuep, see issue #2010)
  • Bug fix to VASP run type detection (@rkingsbury, #2007)

v2020.12.3

v2020.11.11

  • Bug fix for PhononBandStructureSymmLine. (@gpetretto)
  • Improved robustness in ABINIT input generation. (@gpetretto)
  • Other minor bug fixes.

v2020.10.20

  1. Cp2K support (@nwinner)
  2. Better BSPlotter (@fraricci)
  3. Better deprecation warnings.
  4. Bug fix for Py3.9 support.
  5. Bug fix for neutron diffraction get_plot.

v2020.10.9

A supplemental update, v2020.10.9.01, was pushed to add back the Specie and DummySpecie root-level convenience imports, to preserve backwards compatibility.

v2020.9.14

Changelog

Sourced from pymatgen's changelog.

v2020.12.31

  • End of 2020 release with minor bug fixes for cli scripts.

v2020.12.18

  • New IsayevNN nearest-neighbor algorithm (@utf, #2011)
  • Improvements to electrode objects (@jmmshn, #2016)
  • Improvements to Element and PhaseDiagram (@jmmshn, #2005)
  • Bug fix to increase minimum version of setuptools which was causing incompatible versions of numpy to be installed for some users (@shyuep, see issue #2010)
  • Bug fix to VASP run type detection (@rkingsbury, #2007)

v2020.12.3

v2020.11.11

  • Bug fix for PhononBandStructureSymmLine. (@gpetretto)
  • Improved robustness in ABINIT input generation. (@gpetretto)
  • Other minor bug fixes.

v2020.10.20

  1. Cp2K support (@nwinner)
  2. Better BSPlotter (@fraricci)
  3. Better deprecation warnings.
  4. Bug fix for Py3.9 support.
  5. Bug fix for neutron diffraction get_plot.

v2020.10.9

Commits


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dependabot-preview[bot] commented 3 years ago

Superseded by #367.