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Commits on Dec 19, 2025

• update build workflow (#87)

  fishjojo

  authored
  fa13b21

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• update build (#86)

  fishjojo

  authored
  7388948

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• Release 0.2.0 (#85)

  fishjojo

  authored
  4dc0a01

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Commits on Dec 1, 2025

• update doc (#84)

  fishjojo

  authored
  59b3805

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Commits on Aug 14, 2025

• update build workflow (#83)

  fishjojo

  authored
  4da3e0d

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• Release 0.1.11 (#81)

  fishjojo

  authored
  507df04

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Commits on Aug 6, 2025

• Update LICENSE

  fishjojo

  authored
  e9a5fb1

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Commits on Aug 1, 2025

• add example for hessian vector product

  fishjojo

  authored
  c1b3f47

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Commits on Jun 16, 2025

• fix gmres dtype error (#80)

  fishjojo

  authored
  8d1d4a6

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Commits on Jun 15, 2025

• fix optimized DF-CCSD(T) (#78)

  fishjojo

  authored
  2c9a779

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Commits on Jun 2, 2025

• Differentiation for auxiliary dimension in int3c2e (#77)

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  sunqm

  authored
  9fe99a3

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Commits on May 14, 2025

• fix cc examples

  fishjojo

  committed
  177eaa4

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• adapt gw.rpa for changes in pyscf 2.8 (#75)

  fishjojo

  authored
  e2edb69

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Commits on Apr 12, 2025

• Release 0.1.10 (#74)

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  fishjojo

  authored
  efbee8e

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Commits on Apr 11, 2025

• Release 0.1.9

  fishjojo

  committed
  d0fcd7d

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• fix int1e_nuc high-order derivative (#72)

  fishjojo

  authored
  b04fbaf

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Commits on Mar 19, 2025

• update publish workflow (#70)

  fishjojo

  authored
  09b631c

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Commits on Mar 17, 2025

• cuda backend for eigh (#69)

  fishjojo

  authored
  0466eb8

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Commits on Feb 18, 2025

• use jax.ffi (#65)

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  fishjojo

  authored
  b6b974d

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Commits on Feb 11, 2025

• uks hessian for lda and gga with libxc

  fishjojo

  committed
  c81dfbb

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Commits on Feb 9, 2025

• Add UKS (#63)

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  fishjojo

  and

  yangjunjie0320

  authored
  ed68ece

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• Small fixes (#62)

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  fishjojo

  authored
  b8f710f

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Commits on Nov 11, 2024

• fix logger.flush (#57)

  fishjojo

  authored
  0342d5f

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Commits on Oct 31, 2024

• Release 0.1.8 (#54)

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  fishjojo

  authored
  8e588e6

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Commits on Oct 1, 2024

• fix logger.flush

  fishjojo

  committed
  952acdf

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• use scikit-build-core to build pyscfadlib

  fishjojo

  committed
  37b281a

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Commits on Sep 12, 2024

• add test

  fishjojo

  committed
  0f6c3b6

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• Ensure matrix logarithms are real for orbital localization

  

  jonas-greiner

  authored and

  fishjojo

  committed
  42a4d68

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• minor update (#47)

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  fishjojo

  authored
  a1bc4f6

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Commits on Jul 28, 2024

• fix release pipeline (#43)

  fishjojo

  authored
  08b57da

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Commits on Jul 27, 2024

• Release 0.1.7

  fishjojo

  committed
  434f3fa

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• fix canonical_orth, gmres

  fishjojo

  committed
  3a6e826

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Commits on Jul 26, 2024

• [DOC] fix build (#41)

  fishjojo

  authored
  b69acb1

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• add api reference for pyscfad.util

  fishjojo

  committed
  cfcebc7

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• various update (#39)

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  fishjojo

  authored
  2b535b1

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