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Commits on Jan 23, 2025

• Fix docs (#1109)

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  janosh

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  ff9f938

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• allow newer pymatgen verions (#1105)

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  3 peopleauthored
  233c2a9

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• Added the ChemRxiv citation (#1107)

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  edbd0b1

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• Fixed Failing Abinit tests bis (#1108)

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  VicTrqt

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  davidwaroquiers

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  072edac

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Commits on Dec 30, 2024

• Bump nbmake from 1.5.4 to 1.5.5 (#1094)

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  dependabot[bot]

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  95ea060

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• Bump ipython from 8.30.0 to 8.31.0 (#1093)

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  dependabot[bot]

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  93ef6d2

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Commits on Dec 23, 2024

• Bump emmet-core from 0.84.4 to 0.84.5 (#1089)

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  dependabot[bot]

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  5cccaa2

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• Bump pydantic-settings from 2.6.1 to 2.7.0 (#1090)

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  dependabot[bot]

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  76d55ea

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Commits on Dec 16, 2024

• Bump emmet-core from 0.84.3rc6 to 0.84.4 (#1085)

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  dependabot[bot]

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  44de991

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• Bump sevenn from 0.10.2 to 0.10.3 (#1084)

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  dependabot[bot]

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Commits on Dec 9, 2024

• update calorine version (#1083)

  naik-aakash

  authored
  073eac1

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• Bump emmet-core from 0.84.3rc4 to 0.84.3rc6 (#1081)

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  dependabot[bot]

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  149f05c

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• Bump sevenn from 0.10.1 to 0.10.2 (#1080)

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  dependabot[bot]

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  b79b1c1

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Commits on Dec 2, 2024

• Bump ipython from 8.29.0 to 8.30.0 (#1076)

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  dependabot[bot]

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  44a1125

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• Bump pytest from 8.3.3 to 8.3.4 (#1077)

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  dependabot[bot]

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  55a87f0

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• Bump mp-api from 0.42.2 to 0.43.0 (#1075)

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  dependabot[bot]

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  bbc4933

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Commits on Nov 30, 2024

• Fix bump phonopy (#1006)

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  naik-aakash

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  JaGeo

  authored
  4bcf127

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Commits on Nov 26, 2024

• Docs update, forcefield elastic convenience maker, forcefield enum hydration (#1072)

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  esoteric-ephemera

  authored
  6349766

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Commits on Nov 25, 2024

• fix minor code formatting issues + typos (#1070)

  janosh

  authored
  4b84d78

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• add openmm description to docs (#1069)

  JaGeo

  authored
  4244da9

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• Bump jobflow from 0.1.18 to 0.1.19 (#1067)

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  dependabot[bot]

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  eaed474

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• Bump emmet-core from 0.84.3rc3 to 0.84.3rc4 (#1065)

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  dependabot[bot]

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  df1ae35

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Commits on Nov 22, 2024

• Fix generate_phonon_displacements magmom removal side effect (#1064)

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  janosh

  authored
  3f61317

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• bug fix for linear strain passing in qha (#1061)

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  JaGeo

  authored
  3d55b2b

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Commits on Nov 14, 2024

• Allow MatPesStaticFlowMaker(static2=None) (#997)

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  janosh

  authored
  5f0bc75

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• PhononMaker add options to calculate_pdos and save force constants to file (#1008)

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  3 peopleauthored
  7add7ca

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• Minor docs cleanup (#1047)

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  esoteric-ephemera

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  janosh

  authored
  67efb7f

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• Bump pymatgen-analysis-defects from 2024.7.19 to 2024.10.22 (#1024)

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  dependabot[bot]

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• CP2K tweaks (#1056)

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  janosh

  authored
  d743a69

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Commits on Nov 13, 2024

• Add trajectory reporter to openmm workflow (#1053)

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  orionarcher

  and

  janosh

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  0fb73a9

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Commits on Nov 12, 2024

• Update changelog

  

  utf

  committed
  071d1c8

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• Bump monty from 2024.7.30 to 2024.10.21 (#1027)

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  dependabot[bot]

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  cda2a81

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• Feat: GW workflow with VASP (#808)

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  yanghan234

  authored
  c57f9c1

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Commits on Nov 11, 2024

• Update versioningit requirement from ~=1.0 to >=1,<4 (#1051)

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  dependabot[bot]

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  237dcdc

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• Bump sevenn from 0.10.0 to 0.10.1 (#1050)

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  dependabot[bot]

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