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Commits on Aug 21, 2024

• stop nightly build

  fishjojo

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Commits on Jun 21, 2024

• release 0.8.0

  wxj6000

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• numpy 2.0 compatiability (#170)

  wxj6000

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Commits on Jun 20, 2024

• Add ruff checks (#172)

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  sunqm

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  11461e1

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• Handle setuptools 70 (#171)

  sunqm

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  cdf9a7d

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Commits on Jun 8, 2024

• Compatible with PySCF 2.6 (#163)

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  wxj6000

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Commits on Jun 4, 2024

• Update README.md

  wxj6000

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Commits on May 30, 2024

• Update __init__.py

  wxj6000

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• Update setup.py

  wxj6000

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Commits on May 29, 2024

• release v0.7.8 (#162)

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  wxj6000

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Commits on May 28, 2024

• support specifying gpu in multi-GPU environment (#158)

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  wxj6000

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• reduce pair data reads in cuda kernels (#157)

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  wxj6000

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  d463c11

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• Fix a bug in jk cuda kernel (#161)

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  wxj6000

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Commits on May 25, 2024

• Improve Krylov subspace solver in CPHF (#156)

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  wxj6000

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Commits on May 15, 2024

• Properties dev (#147)

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  puzhichen

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• improve df scheme (#155)

  wxj6000

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Commits on May 13, 2024

• refactor solvent models (#139)

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  wxj6000

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• added disp_with_3body into keys (#152)

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  wxj6000

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Commits on May 12, 2024

• efficient PCM model (#150)

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  wxj6000

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Commits on May 8, 2024

• Align setups with pyscf (#146)

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  wxj6000

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Commits on May 7, 2024

• update direct_scf_tol in examples and tests (#148)

  wxj6000

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  bafd2d8

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Commits on May 4, 2024

• fixed df class names (#145)

  wxj6000

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  05d4521

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Commits on May 1, 2024

• improve gdft kernels (#143)

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  wxj6000

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Commits on Apr 30, 2024

• improve examples (#142)

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  wxj6000

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Commits on Apr 29, 2024

• subclass dft.KohnSham from pyscf (#141)

  sunqm

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Commits on Apr 19, 2024

• added badges in README.md

  wxj6000

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Commits on Apr 15, 2024

• Manually run nightly build (#140)

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  wxj6000

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• Update nightly_build.yml

  wxj6000

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• Nightly build (#138)

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  wxj6000

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Commits on Apr 12, 2024

• replace cart2sph with cuda kernel (#137)

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  wxj6000

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Commits on Apr 7, 2024

• Bugfix (#136)

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  wxj6000

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• Bugfix (#135)

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  wxj6000

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Commits on Apr 4, 2024

• Recover deleted branch: grouped_gemm (#134)

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  wxj6000

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Commits on Apr 2, 2024

• Refactor classes (#132)

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  wxj6000

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Commits on Mar 30, 2024

• Transition metal (#131)

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  wxj6000

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