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Commits on Feb 3, 2026

• Feature: support pyabacus to run abacus directory (Useful information for the following developments of pyabacus) (#6943)

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  dyzheng

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  17b38af

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Commits on Feb 2, 2026

• Refactor: Device module modernization and GPU initialization consolidation (Useful information for GPU coding) (#6936)

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  dzzz2001

  and

  claude

  authored
  14746d3

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Commits on Oct 1, 2025

• Add subspace diagonalization for orthogonal input (#6559)

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  Cstandardlib

  authored
  5411878

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Commits on Sep 30, 2025

• Refactor: rename dngvd files (#6543)

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  Cstandardlib

  authored
  73fc8a9

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Commits on Aug 31, 2025

• Fix: Name conflict in pyabacus. (#6466)

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  ErjieWu

  authored
  95c4d9a

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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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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 5, 2025

• [Refactor] Move module_parameter to source_io. Reorganize source_lcao (#6358)

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  Critsium-xy

  authored
  c873197

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Commits on Jun 25, 2025

• [Refactor] Rename module_elecstate and module_psi and module_hamilt_pw (#6334)

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  Critsium-xy

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  3e3f708

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Commits on Jun 21, 2025

• [Refactor] Rename module_basis to source_basis || module_cell to source_cell (#6319)

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  Critsium-xy

  and

  mohanchen

  authored
  7f417b2

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Commits on Jun 19, 2025

• [Refactor] Rename module_base to source_base (#6311)

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  Critsium-xy

  authored
  abcb9f2

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Commits on Jun 18, 2025

• [Refactor] Rename module_hsolver to source_hsolver (#6305)

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  Critsium-xy

  authored
  9efc3e9

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Commits on Jun 12, 2025

• Refactor: replace ENABLE_DEEPKS & ENABLE_MLKEDF with ENABLE_MLALGO (#6271)

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  7155c3f

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Commits on Mar 19, 2025

• Refactor: math_kernel_op (#6020)

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  Qianruipku

  authored
  0c9b227

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Commits on Jan 20, 2025

• Feature: add para_gemm to do parallel matrix multiply (#5870)

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  Qianruipku

  authored
  0098171

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Commits on Jan 18, 2025

• [Refactor] Remove all ctx parameters in memory operators (#5862)

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  Critsium-xy

  and

  pre-commit-ci-lite[bot]

  authored
  60b40bf

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Commits on Jan 6, 2025

• feature: parallel solve subspace diagonalization in dav_subspace (#5549)

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  pxlxingliang

  and

  pre-commit-ci-lite[bot]

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  eb19348

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Commits on Dec 11, 2024

• Refactor: add smooth threshold support for cg method (#5713)

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  haozhihan

  authored
  4b88ee8

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• Feature: DFT+U for noncollinear spin calculation with PW base (#5703)

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  dyzheng

  and

  dyzheng

  authored
  c9c0189

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Commits on Dec 10, 2024

• Refactor: add smooth threshold support for `david` method (#5697)

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  haozhihan

  authored
  fd3a6d8

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Commits on Nov 7, 2024

• Feature：Now sDFT support GPU (#5423)

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  Qianruipku

  authored
  7da86cd

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Commits on Nov 4, 2024

• Feature: Add `CG` algorithm to `pyabacus.hsolver` (#5398)

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  a1henu

  authored
  5f9a1c6

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Commits on Oct 25, 2024

• Refactor: Organize code structure to improve maintainability in pyabacus (#5346)

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  a1henu

  authored
  729059f

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Commits on Oct 24, 2024

• Feature: Add Cell for pyabacus (#5247)

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  jieli-matrix

  authored
  1b3f76e

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Commits on Oct 16, 2024

• Feature: update new version of dav_subspace with higher performance (#5199)

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  a5c35d9

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Commits on Oct 10, 2024

• Change wrapper `spsi_func` in hsolver-dav (#5205)

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  Cstandardlib

  and

  pre-commit-ci-lite[bot]

  authored
  5329628

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Commits on Oct 5, 2024

• Refactor hpsi_func in hsolver (#5202)

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  Cstandardlib

  and

  pre-commit-ci-lite[bot]

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  72b1d7c

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Commits on Sep 26, 2024

• Fix: Update function calls in `pyabacus` to align with new function signature in `hpsi_func` (#5176)

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  a1henu

  authored
  3b2e5ad

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Commits on Sep 17, 2024

• Feature: Add `davidson` function to `pyabacus` (#5112)

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  a1henu

  authored
  a29afee

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Commits on Aug 16, 2024

• Feature: Add diago_dav_subspace module to pyabacus (#4883)

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  a1henu

  authored
  d0b25ea

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Commits on Jul 18, 2024

• Fix: replace part of GlobalV::var by parameter (#4706)

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  3 peopleauthored
  b191c10

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Commits on Jul 12, 2024

• fix MKL problem in pyabacus example ex_s_rotate.py (#4669)

  maki49

  authored
  e7a76bd

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Commits on Jul 11, 2024

• fix MKL in pyabacus compile according to the newest fix (#4656)

  maki49

  authored
  edc877f

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Commits on May 20, 2024

• Refactor: refactor `psi::memory` namespace and add `module_device` in `module_base` (#4141)

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  haozhihan

  and

  denghuilu

  authored
  a97f9fd

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Commits on Mar 21, 2024

• Bug: Fix Intel compile warnings (#3756)

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  jieli-matrix

  authored
  bdee87e

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