pyiron / structuretoolkit

build, analyse and visualise atomistic structures for materials science
BSD 3-Clause "New" or "Revised" License
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Bump phonopy from 2.26.6 to 2.31.1 #282

Open dependabot[bot] opened 3 days ago

dependabot[bot] commented 3 days ago

Bumps phonopy from 2.26.6 to 2.31.1.

Changelog

Sourced from phonopy's changelog.

Nov-28-2024: Version 2.31.1

  • Experimental implementation of SSCHA using pypolymlp and symfc.

Nov-13-2024: Version 2.31.0

  • Maintenance release along with refactoring of MLP interface.

Nov-13-2024: Version 2.30.1

  • Release for attempting conda-forge packaging except for a few very minor change.

Nov-9-2024: Version 2.30.0

  • The symfc package (https://github.com/symfc/symfc) was made a necessary package from this version.
  • Default force constants calculator for phonopy-load command was changed to symfc. The previous behaviour is recovered by phonopy-load --fc-calculator traditional.

Oct-25-2024: Version 2.29.1

  • Release for conda-forge packaging.

Oct-22-2024: Version 2.29.0

  • Maintenance release including minor fixes and updates.

Sep-12-2024: Version 2.28.0

  • Maintenance release including minor fixes and updates.

Aug-23-2024: Version 2.27.0

  • Update for new SpglibDataset in spglib v.2.5 (PR #413 by @​janosh, #414). Note that now Symmetry.dataset returns SpglibDataset (spglib >= v2.5) or SimpleNamespace (spglib < v2.5).

Aug-12-2024: Version 2.26.7

  • Minor updates of user interface to behave nicely.
  • Updated documentation and examples to recommend using phonopy-load instead of phonopy for the post-process calculations.
Commits
  • 4c47311 Merge branch 'develop'
  • 691531c Merge pull request #462 from phonopy/release
  • e0aa891 Minor update of document
  • e7dab2e Set version 2.31.1
  • 04091b2 Merge pull request #461 from phonopy/refactor-sscha-interface
  • 1b0bddb Refactoring of SSCHA interface
  • 80edd51 Merge pull request #460 from phonopy/sshca
  • e4bcb20 SSCHA command user interface
  • 223ca63 Merge pull request #459 from phonopy/pre-commit-ci-update-config
  • 0dd4507 [pre-commit.ci] pre-commit autoupdate
  • Additional commits viewable in compare view


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