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Commits on Aug 4, 2025

• Fix: dav_subspace for uspp (#6428)

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  YuLiu98

  authored
  2f59a6f

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• Perf: add cuda support for cal_force_loc (#6427)

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  dzzz2001

  authored
  acaa1fc

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Commits on Aug 2, 2025

• Update version.h (#6426)

  Critsium-xy

  authored
  940a664

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Commits on Aug 1, 2025

• fix bug in Pseudopot_upf::set_empty_element() (#6423)

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  linpeize

  and

  PeizeLin

  authored
  8d76d26

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Commits on Jul 31, 2025

• Feature: EXX PW GPU Support (#6407)

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  26 peopleauthored
  f16364d

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• Fix: wrong name in cuda "lapack" interface (#6411)

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  27 peopleauthored
  3f7e7a4

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Commits on Jul 26, 2025

• Fix: Numerical error in pyabacus. (#6414)

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  ErjieWu

  authored
  2fcc64e

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Commits on Jul 25, 2025

• Remove blas/lapack_connector.h that are not referenced in test (#6413)

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  Cstandardlib

  authored
  355eaf3

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Commits on Jul 23, 2025

• Fix rt-tddft crash (#6410)

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  ESROAMER

  authored
  afd9b08

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• Refactor: changed cereal url with codeload (#6408)

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  kluonj

  authored
  a52361b

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• Remove lapack_connector.h that are not referenced (#6400)

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  Cstandardlib

  authored
  61c325c

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Commits on Jul 22, 2025

• Fix: fix exx_gamma_extrapolation error in MPI (#6404)

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  27 peopleauthored
  954d24a

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Commits on Jul 21, 2025

• Fix control flow of occNum_func in rdmft_tools to include default value control flow. (#6403)

  Cstandardlib

  authored
  939582f

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• explicitly introduce push_data version of the base class that is not overridden (#6401)

  Cstandardlib

  authored
  3b51a10

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• Remove internal header file device_functions.h that is not allowed to include directly and will be removed in future CUDA release, eliminating compile warning by nvcc. (#6399)

  Cstandardlib

  authored
  2342180

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• Remove unreferenced blas_connector.h header (#6398)

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  Cstandardlib

  authored
  93cd909

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• Clean dependency: remove headers scalapack_connector that are not actually referenced (#6396)

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  Cstandardlib

  authored
  dc02067

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Commits on Jul 20, 2025

• bump version to 3.9.0.10 (#6397)

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  Cstandardlib

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  sunliang98

  authored
  a94c62d

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Commits on Jul 19, 2025

• Fix a bug for the output information after relaxation (#6395)

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  mohanchen

  authored
  fe38a70

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• [Refactor] Move module_lr to source_lcao and add a new folder module_external in source_base (#6388)

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  Critsium-xy

  authored
  063bd69

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• Perf: support GPU version of cal_force_cc with LCAO basis (#6392)

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  dzzz2001

  authored
  6d035e7

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Commits on Jul 18, 2025

• Optimize RT-TDDFT dipole output (#6393)

  AsTonyshment

  authored
  7edc682

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• Feature: Output real space wavefunction and partial charge density when `device=gpu` (#6391)

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  AsTonyshment

  authored
  14ae255

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• Feature: support the output of matrix representation of symm_ops (#6390)

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  kirk0830

  authored
  b994d95

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Commits on Jul 14, 2025

• Update the outputs of geometry relaxation (#6387)

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  mohanchen

  authored
  23271d2

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• [Refactor] Rename grid to module_grid and genelpa to module_genelpa (#6386)

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  Critsium-xy

  authored
  7aa668a

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Commits on Jul 13, 2025

• Update the output formats of rt-TDDFT (#6381)

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  mohanchen

  authored
  d48a646

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Commits on Jul 12, 2025

• Add use sw and fix Floating point exception (#6372)

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  A-006

  authored
  9cfddf3

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• refactor Exx_Opt_Orb (#6378)

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  linpeize

  and

  PeizeLin

  authored
  3f312e8

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Commits on Jul 10, 2025

• Fix: Fix memory leak introduced by new gint module (#6375)

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  dzzz2001

  authored
  012c216

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• Refactor: Remove redundant Input_para from ESolver Class (#6370)

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  sunliang98

  authored
  7c68dfc

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• Feature: Support linear combination of coulomb_param for EXX PW (#6371)

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  18 peopleauthored
  b8e9264

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• Improve md calculation stress output in running log (#6366)

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  lanshuyue

  authored
  db41600

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• Uploading hybrid gauge tddft (#6369)

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  ESROAMER

  authored
  8e8c30f

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Commits on Jul 9, 2025

• Print eigenvalues for all k-points in running log when kpar > 1 (#6367)

  lanshuyue

  authored
  b554f40

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