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onmaster

Commits on Oct 31, 2026
- Remove pyscf/nac and pyscf/pbc/lo __init__.py files that shadow core's (#219) (#223)
  
  MatthewRHermes
  and
  claude
  authored
  964f7f4
Commits on Oct 21, 2026
- Remove Python 3.8 support (#224)
  
  MatthewRHermes
  and
  claude
  authored
  433671a
Commits on Jul 30, 2026
- add double hybrid module (#196)
  
  jeanwsr
  and
  ajz34
  authored
  7e3acd5
Commits on Jul 27, 2026
- try to downgrade ruff
  
  MatthewRHermes
  authored and
  sunqm
  committed
  15cb645
Commits on Apr 7, 2026
- ci cleanup
  ankit76
  committed
  5a58e11
Commits on Apr 6, 2026
- ignoring afqmc tests for python 3.8 and 3.10
  ankit76
  committed
  39b2351
- simplified ci
  ankit76
  committed
  bf06c66
Commits on Apr 5, 2026
- added lno afqmc
  ankit76
  committed
  5275cad
- added afqmc
  ankit76
  committed
  558e7ab
Commits on Mar 14, 2026
- Add a feature tranfer template (#135)
  sunqm
  authored
  f5453e1
Commits on Feb 12, 2026
- refactor spin-flip tddft
  wtpeter
  committed
  110eb50
Commits on Aug 17, 2025
- TREXIO + MCSCF wavefunction (#92)
  
  NastaMauger
  and
  sunqm
  authored
  b4da987
Commits on May 12, 2025
- Copy pyscf core linting procedures
  MatthewRHermes
  committed
  cccaffb
Commits on Apr 23, 2025
- Update the lint runner (#133)
  MatthewRHermes
  authored
  77da635
Commits on Mar 8, 2025
- Update CI runner to ubuntu-latest
  
  MatthewRHermes
  authored and
  sunqm
  committed
  ac71d9a
Commits on Jan 28, 2025
- Fix pypi release pipeline
  sunqm
  committed
  c6b7f4e
Commits on Dec 16, 2024
- Update pypi upload configurations
  sunqm
  committed
  0d89553
Commits on Dec 13, 2024
- Compatibility issue when building aarch64 wheel
  sunqm
  committed
  8edd25c
Commits on Nov 9, 2024
- Enable PySCF 3.10 and 3.12 unit tests in CI (#78)
  MatthewRHermes
  authored
  77a6d7e
Commits on Oct 30, 2024
- Add CHANGELOG
  sunqm
  committed
  a58b5a8
Commits on Sep 27, 2024
- Update GitHub actions to Python 3.8 (#69)
  MatthewRHermes
  authored
  be401a8
Commits on Aug 8, 2024
- missing deps
  sunqm
  committed
  9b5a1c1
Commits on May 31, 2024
- Prepare the ci job to package PyPI release for linux wheel (#46)
  sunqm
  authored
  c888211
Commits on Jun 5, 2023
- CI/CD Linting with flake8 (#23)
  
  matthew-hennefarth
  and
  MatthewRHermes
  authored
  2742ef1
- CI/CD run unit tests (#22)
  MatthewRHermes
  authored
  fd74fdc
Commits on Nov 29, 2022
- add github action (#3)
  sunqm
  authored
  32e147e
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Commits on Oct 31, 2026

Commits on Oct 21, 2026

Commits on Jul 30, 2026

Commits on Jul 27, 2026

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Commits on Apr 6, 2026

Commits on Apr 5, 2026

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Commits on Aug 17, 2025

Commits on May 12, 2025

Commits on Apr 23, 2025

Commits on Mar 8, 2025

Commits on Jan 28, 2025

Commits on Dec 16, 2024

Commits on Dec 13, 2024

Commits on Nov 9, 2024

Commits on Oct 30, 2024

Commits on Sep 27, 2024

Commits on Aug 8, 2024

Commits on May 31, 2024

Commits on Jun 5, 2023

Commits on Nov 29, 2022