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Commits on Aug 4, 2025

• Fix: dav_subspace for uspp (#6428)

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  YuLiu98

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  2f59a6f

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Commits on Jul 26, 2025

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

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  ErjieWu

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  2fcc64e

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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

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  mohanchen

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  7f417b2

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Commits on Jun 19, 2025

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

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  Critsium-xy

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  abcb9f2

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Commits on Jun 18, 2025

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

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  Critsium-xy

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  9efc3e9

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Commits on Mar 19, 2025

• Refactor: math_kernel_op (#6020)

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  Qianruipku

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  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

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  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

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  pre-commit-ci-lite[bot]

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  60b40bf

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Commits on Jan 6, 2025

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

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  pxlxingliang

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  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

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  4b88ee8

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

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  dyzheng

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  dyzheng

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  c9c0189

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Commits on Dec 10, 2024

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

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  haozhihan

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  fd3a6d8

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Commits on Nov 7, 2024

• Feature：Now sDFT support GPU (#5423)

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  Qianruipku

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  7da86cd

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Commits on Nov 4, 2024

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

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  a1henu

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  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

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  729059f

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Commits on Oct 24, 2024

• Feature: Add Cell for pyabacus (#5247)

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  jieli-matrix

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  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

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  pre-commit-ci-lite[bot]

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  5329628

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Commits on Oct 5, 2024

• Refactor hpsi_func in hsolver (#5202)

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  Cstandardlib

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  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

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  3b2e5ad

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Commits on Sep 17, 2024

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

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  a1henu

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  a29afee

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Commits on Aug 16, 2024

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

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  a1henu

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  d0b25ea

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Commits on Mar 21, 2024

• Bug: Fix Intel compile warnings (#3756)

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  jieli-matrix

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  bdee87e

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Commits on Mar 19, 2024

• Bug: fix undefined symbol in pyabacus (#3740)

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  jieli-matrix

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  1cc66cf

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Commits on Mar 17, 2024

• Feature: Visualize numerical orbital in pyabacus (#3726)

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  jieli-matrix

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  c64fc6c

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Commits on Mar 15, 2024

• Feature: Pythonization of NumericalRadial (#3712)

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  jieli-matrix

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  50be94d

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Commits on Mar 12, 2024

• Docs: Add docs for pyabacus (#3697)

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  jieli-matrix

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  3d2f306

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Commits on Mar 6, 2024

• Feature: Pythonization of ModuleNAO (#3642)

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  jieli-matrix

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  3188652

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Commits on Feb 7, 2024

• Feature: Pythonization of math_integral in Module Base (#3574)

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  jieli-matrix

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  21f5c60

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Commits on Jan 19, 2024

• Feature: add python wrapper for math sphbes (#3475)

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  jieli-matrix

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  22cfc0b

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Commits on Jan 5, 2024

• add NumericalRadial in PyABACUS (#3349)

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  jieli-matrix

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  Qianruipku

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  904a1fd

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