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Commits on Feb 10, 2025

• Fix P1 SymmOp string for CifParser.get_symops (#4279)

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  DanielYang59

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Commits on Jan 29, 2025

• Add default symprec of 0.01A. #4268

  shyuep

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Commits on Jan 28, 2025

• Return dict output.

  shyuep

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• Clarify return float/int type for core.Composition.reduced_composition and siblings, minor type clean up for core.Composition (#4265)

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  DanielYang59

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• Add Structure.get_symmetry_dataset convenience method (#4268)

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  janosh

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• Add missing parenthesis to electronic_structure.boltztrap.BoltztrapAnalyzer.get_extreme.is_isotropic (#4271)

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  DanielYang59

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  shyuep

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• Merge branch 'master' of github.com:materialsproject/pymatgen

  shyuep

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• Do not support plotly 6.0 for now. Someone is welcome to submit a PR to

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  shyuep

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• Add seed: int = 0 parameter to Structure.perturb() method (#4270)

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  janosh

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Commits on Jan 24, 2025

• Improve changelog generation.

  shyuep

  committed
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• Update docs

  shyuep

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• Update changelog.

  shyuep

  committed
  2d1e5db

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• Improve test.

  shyuep

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• Use md5 for unique hash.

  shyuep

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• Avoid using full equality (==) to compare float, avoid assert_array_equal compare float array (#4159)

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  DanielYang59

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• Outputs - JDFTx IO Module (#4190)

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• Inputs - JDFTx IO Module (#4189)

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Commits on Jan 23, 2025

• Fix release workflow.

  shyuep

  committed
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• Minor error in code.

  shyuep

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• invoke update-changelog now uses ChatGPT to summarize PRs.

  shyuep

  committed
  4c8f451

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• Add a pip install step.

  shyuep

  committed
  3d95879

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• Update docs

  shyuep

  committed
  d6c0f29

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• Updated changelog and improved changelog generation.

  shyuep

  committed
  f7711ba

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• Update pages workflow.

  shyuep

  committed
  a4fc327

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• Fix test.

  shyuep

  committed
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• Fix formatting.

  shyuep

  committed
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• Fix tests for windwos.

  shyuep

  committed
  d8e335d

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• Update changelog generation.

  shyuep

  committed
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• Make run_type in mixing scheme consistent with entries (#4255)

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  peikai

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  shyuep

  authored
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• Generate unique entry_id using date time and hash of final structure.

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  shyuep

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Commits on Jan 18, 2025

• Clean up io.vasp.outputs.Outcar docstring (#4160)

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  DanielYang59

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• build Linux arm64 wheels (#4257)

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  njzjz

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  shyuep

  authored
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Commits on Jan 17, 2025

• Minor update to make FermiDos more robust (#4240)

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  3 peopleauthored
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• Using libxc with FHI-aims requires an additional keyword (#4254)

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  tpurcell90

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• Fix Composition for mixed species & element compositions (#4256)

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  kavanase

  and

  pre-commit-ci[bot]

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