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Commits on Jun 12, 2026

• Add CMake export for meson build (#369)

  awvwgk

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  930539a

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Commits on May 20, 2026

• Bump fortran-lang/setup-fpm from 9 to 10 (#365)

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  dependabot[bot]

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  84cebc0

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Commits on May 7, 2026

• Wheel: Include subprojects in Python bindings build (#364)

  Growl1234

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  873ffd3

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Commits on May 6, 2026

• Update to version 4.2.0 (#363)

  awvwgk

  authored
  6e1f59c

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• Support optional smooth realspace cutoffs (#362)

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  3 peopleauthored
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Commits on May 4, 2026

• Update to version 4.1.1 (#360)

  awvwgk

  authored
  6b80189

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• Fix gradient for ATM contribution (#359)

  awvwgk

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  c7a0062

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Commits on Apr 3, 2026

• Reformat qcschema interface to match dftd3 (#357)

  loriab

  authored
  97ed71e

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Commits on Mar 30, 2026

• Bump mamba-org/setup-micromamba from 1 to 3 (#353)

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  dependabot[bot]

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  c3f9821

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• Bump actions/setup-python from 4 to 6 (#354)

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  dependabot[bot]

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  88cd408

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• Bump github/codeql-action from 2 to 4 (#355)

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  dependabot[bot]

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  83b27ac

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• Bump actions/upload-artifact from 4 to 7 (#356)

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  dependabot[bot]

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  843155d

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• Bump actions/cache from 4 to 5 (#352)

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  dependabot[bot]

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  1377fab

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Commits on Mar 27, 2026

• Micro optimizations (#351)

  marvinfriede

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  5e7aa70

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• Add wheel build for 3.14 (#350)

  marvinfriede

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  7fa3ab8

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• Bump version to 4.1.0 (#348)

  marvinfriede

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  53cb175

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• Enforce Python code style (#349)

  marvinfriede

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  b8a9c10

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Commits on Mar 26, 2026

• Bump actions/download-artifact from 4 to 8 (#344)

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  dependabot[bot]

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  b93e1ef

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• Bump JamesIves/github-pages-deploy-action from 4.1.6 to 4.8.0 (#346)

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  dependabot[bot]

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  a67b118

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• Bump codecov/codecov-action from 4 to 6 (#345)

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  dependabot[bot]

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  80cbc12

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• Bump fortran-lang/setup-fpm from 7 to 9 (#343)

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  dependabot[bot]

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  a14c67a

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• Bump actions/checkout from 4 to 6 (#347)

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  dependabot[bot]

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  c3b55e8

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• Add dependabot (#342)

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  e-kwsm

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  c7f380c

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• Adapt for QCSchema v2 and Python v3.14 (#341)

  loriab

  authored
  b388c96

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Commits on Feb 14, 2026

• Remove bleeding edge link (#339)

  marvinfriede

  authored
  32933e6

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Commits on Feb 6, 2026

• Skip generating attestations for TestPyPI upload (#338)

  marvinfriede

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  dd4884f

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• Bump version to 4.0.2 (#336)

  marvinfriede

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  76db5b7

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Commits on Feb 4, 2026

• Improve C6 and C8 printout (#335)

  marvinfriede

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  d6d4389

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• C-API: Fix s9 not being set to 0.0 (#334)

  marvinfriede

  authored
  1769a0e

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Commits on Jan 5, 2026

• Update Spack link (#330)

  marvinfriede

  authored
  bd0461f

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Commits on Dec 21, 2025

• Add `AGENTS.md` for AI tools (#328)

  marvinfriede

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  5c21de4

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Commits on Dec 10, 2025

• Fix permissions in release workflow (#327)

  marvinfriede

  authored
  6c7d63d

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• Bump version to 4.0.1 (#325)

  marvinfriede

  authored
  8ced737

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• Guard against FP underflow (#324)

  marvinfriede

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  b2238de

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Commits on Nov 12, 2025

• Use trusted publishing for PyPI upload (#321)

  marvinfriede

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  bb004c8

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