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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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Commits on Jun 28, 2024

• Release 0.1.6 (#38)

  fishjojo

  authored
  8a5c0ad

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• Update GMRES according to scipy update (#37)

  fishjojo

  authored
  93b0e58

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Commits on Jun 27, 2024

• fix import error (#36)

  fishjojo

  authored
  45627e4

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• Fix PBC lattice response (#35)

  fishjojo

  authored
  1921947

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Commits on Jun 25, 2024

• Fix pyscfadlib dynamic link (#33)

  fishjojo

  authored
  3906545

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Commits on Jun 22, 2024

• Fix macos wheel upload (#32)

  fishjojo

  authored
  2760942

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• Fix macos wheels publish to pypi (#31)

  fishjojo

  authored
  da1eadd

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• Update publish workflow (#30)

  fishjojo

  authored
  84f6158

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• Release 0.1.5 (#29)

  fishjojo

  authored
  6ad7181

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Commits on Jun 14, 2024

• various updates (#28)

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  fishjojo

  authored
  b2180a5

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• fix ci workflow

  fishjojo

  committed
  61e0e2c

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Commits on Jun 12, 2024

• add doc (#26)

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  fishjojo

  authored
  715ecbf

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Commits on May 5, 2024

• Merge pull request #25 from fishjojo/fishjojo-patch-1

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  fishjojo

  authored
  c214824

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• Update README.md

  fishjojo

  authored
  f66ec71

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Commits on Apr 16, 2024

• Fix LRC-RKS (#24)

  fishjojo

  authored
  99a9d16

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Commits on Mar 5, 2024

• Release v0.1.4 (#21)

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  fishjojo

  authored
  4b51e90

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Commits on Sep 29, 2023

• Update README.md

  fishjojo

  authored
  3a90edd

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Commits on Sep 13, 2023

• update installation (#18)

  fishjojo

  authored
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Commits on Mar 31, 2023

• example of geometry optimization for RPA using PyBerny

  

  EgorTrushin

  authored and

  fishjojo

  committed
  8a7159b

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Commits on Mar 14, 2023

• release v0.1.2 (#12)

  fishjojo

  authored
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Commits on Mar 11, 2023

• add AD support for ROHF (#11)

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  fishjojo

  authored
  a5d4e7e

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Commits on Mar 10, 2023

• Merge pull request #10 from HPQC-LABS/documentation-improvements

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  fishjojo

  authored
  5128e15

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• Add missing installation steps in the README.md

  vandan-revanur

  committed
  a337516

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Commits on Feb 20, 2023

• update examples

  fishjojo

  committed
  994c00b

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