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Commits on Feb 6, 2026

• Bump version to 4.0.2 (#336)

  marvinfriede

  authored
  76db5b7

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Commits on Dec 21, 2025

• Add `AGENTS.md` for AI tools (#328)

  marvinfriede

  authored
  5c21de4

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Commits on Dec 10, 2025

• Bump version to 4.0.1 (#325)

  marvinfriede

  authored
  8ced737

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Commits on Nov 11, 2025

• Bump version to 4.0.0 (#317)

  marvinfriede

  authored
  ce752ce

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Commits on Jul 12, 2025

• Fix typo (#303)

  marvinfriede

  authored
  37cc3b3

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Commits on May 5, 2025

• Exclude meson version 1.8.0 (#293)

  awvwgk

  authored
  29b5246

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Commits on Apr 19, 2025

• Fix accessing parameters in windows (#292)

  loriab

  authored
  de8d1a1

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Commits on Jan 27, 2025

• Fix bug in reference polarizability and add actinoid reference systems (#275)

  thfroitzheim

  authored
  f17da03

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Commits on Nov 11, 2024

• Access parameters on Windows (#268)

  marvinfriede

  authored
  62f8e71

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Commits on Oct 30, 2024

• Implementation of smooth D4S (#264)

  thfroitzheim

  authored
  7fa3ccf

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Commits on Sep 15, 2024

• Update for Python 3.13 (#260)

  awvwgk

  authored
  6cb449a

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Commits on Aug 29, 2024

• Release version 3.7.0 (#231)

  awvwgk

  authored
  7b2ff85

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Commits on Aug 7, 2024

• Fix periodic PySCF calculations (#254)

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  aizvorski

  and

  Alex Izvorski

  authored
  97b23b4

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Commits on Jul 28, 2024

• Fix passing atomic numbers from PySCF to D4 interface (#248)

  marvinfriede

  authored
  4aa9e79

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• Fix Python workflow (#251)

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  marvinfriede

  authored
  3a1c21e

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Commits on Jul 27, 2024

• Fix wheel workflow (#250)

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  marvinfriede

  authored
  c0457af

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Commits on Jan 3, 2024

• Update interface for gradient for PySCF 2.4 (#230)

  awvwgk

  authored
  c18bb6d

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Commits on Dec 11, 2023

• Actinides (#227)

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  marvinfriede

  authored
  423e7cb

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Commits on Aug 15, 2023

• Bump version to 3.6.0 (#213)

  awvwgk

  authored
  3844dc1

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Commits on Jul 17, 2023

• Make Python installation pure: false by default (#210)

  awvwgk

  authored
  1a27478

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Commits on Feb 23, 2023

• Catch unsupported elements (#189)

  marvinfriede

  authored
  c31218f

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• PySCF: Capture dispersion energy in scf_summary (#193)

  awvwgk

  authored
  1c78bd9

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Commits on Jan 4, 2023

• Bump to version 3.5.0 (#185)

  awvwgk

  authored
  056491b

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Commits on Dec 30, 2022

• Allow passing through values for dispersion model (#184)

  awvwgk

  authored
  3035fe1

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Commits on Oct 21, 2022

• Add the reference data base back (#115)

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  awvwgk

  and

  TyBalduf

  authored
  28a6c6d

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Commits on May 29, 2022

• Add documentation pages (#164)

  awvwgk

  authored
  3e4ea97

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Commits on May 28, 2022

• Use meson-python to generate sdist for Python bindings (#163)

  awvwgk

  authored
  b23b406

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Commits on May 1, 2022

• Add support for PySCF (#156)

  awvwgk

  authored
  5deac3d

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Commits on Apr 30, 2022

• Add workflow for building wheels (#155)

  awvwgk

  authored
  7eae7fb

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Commits on Apr 29, 2022

• Bump to version 3.4.0 (#154)

  awvwgk

  authored
  f572723

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Commits on Jan 23, 2022

• Allow more flexible adjustment of Python version (#145)

  awvwgk

  authored
  3d8ef7a

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Commits on Nov 22, 2021

• Refactor Python API (#137)

  Show description for 54b922b
  awvwgk

  authored
  54b922b

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Commits on Aug 6, 2021

• Bump version to 3.3.0 (#117)

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  awvwgk

  authored
  1189af7

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Commits on Jul 16, 2021

• Simplify Python setup process (#109)

  awvwgk

  authored
  712a526

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Commits on May 25, 2021

• Increase required meson version in documentation (#103)

  Show description for 750b3ce
  awvwgk

  authored
  750b3ce

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