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History for python/pyabacus - deepmodeling/abacus-develop · GitHub

Commits

History for

onrefs/heads/develop

Commits on Aug 13, 2026

Refactor: normalize and shorten source filenames for consistency (#7797)

mohanchen
and
abacus_fixer
authored
3b22343

Commits on Jul 30, 2026

Feature: fully utilized magnetic space group (MSG) enabling SOC (#7692)
maki49
authored
11d1112
move hcontainer from source_lcao to source_hamilt (#7708)

mohanchen
and
abacus_fixer
authored
39c688e

Commits on Jul 21, 2026

Remove PARAM in source_cell (including tests); revert the dependency between unitcell in source_cell and ORB files in source_basis; update some agent governance (#7644)

mohanchen
and
abacus_fixer
authored
bf54db6

Commits on Jul 13, 2026

CMake: Deprecate ENABLE_LIBCOMM and rename options (#7620)
Growl1234
authored
4031363

Commits on Jul 10, 2026

CMake: Rewrite FindMKL.cmake (#7595)
Growl1234
authored
52a15fc

Commits on Jul 6, 2026

Commits on Jul 3, 2026

Fix: some easy-to-fix problems in [Code scan] issues (#7582)

Critsium-xy
and
claude
authored
12515e5

Commits on Jun 17, 2026

Refactor the relax module (#7456)

mohanchen
and
abacus_fixer
authored
0ee6b28

Commits on Apr 24, 2026

remove PAW-related codes (#7277)

mohanchen
and
abacus_fixer
authored
5271ce2

Commits on Feb 3, 2026

Feature: support pyabacus to run abacus directory (Useful information for the following developments of pyabacus) (#6943)
dyzheng
authored
17b38af

Commits on Feb 2, 2026

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

dzzz2001
and
claude
authored
14746d3

Commits on Oct 1, 2025

Add subspace diagonalization for orthogonal input (#6559)
Cstandardlib
authored
5411878

Commits on Sep 30, 2025

Refactor: rename dngvd files (#6543)
Cstandardlib
authored
73fc8a9

Commits on Aug 31, 2025

Fix: Name conflict in pyabacus. (#6466)
ErjieWu
authored
95c4d9a

Commits on Aug 4, 2025

Fix: dav_subspace for uspp (#6428)
YuLiu98
authored
2f59a6f

Commits on Jul 26, 2025

Fix: Numerical error in pyabacus. (#6414)
ErjieWu
authored
2fcc64e

Commits on Jul 5, 2025

[Refactor] Move module_parameter to source_io. Reorganize source_lcao (#6358)
Critsium-xy
authored
c873197

Commits on Jun 25, 2025

[Refactor] Rename module_elecstate and module_psi and module_hamilt_pw (#6334)
Critsium-xy
authored
3e3f708

Commits on Jun 21, 2025

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

Critsium-xy
and
mohanchen
authored
7f417b2

Commits on Jun 19, 2025

[Refactor] Rename module_base to source_base (#6311)
Critsium-xy
authored
abcb9f2

Commits on Jun 18, 2025

[Refactor] Rename module_hsolver to source_hsolver (#6305)
Critsium-xy
authored
9efc3e9

Commits on Jun 12, 2025

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

authored
7155c3f

Commits on Mar 19, 2025

Refactor: math_kernel_op (#6020)
Qianruipku
authored
0c9b227

Commits on Jan 20, 2025

Feature: add para_gemm to do parallel matrix multiply (#5870)
Qianruipku
authored
0098171

Commits on Jan 18, 2025

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

Critsium-xy
and
pre-commit-ci-lite[bot]
authored
60b40bf

Commits on Jan 6, 2025

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

pxlxingliang
and
pre-commit-ci-lite[bot]
authored
eb19348

Commits on Dec 11, 2024

Refactor: add smooth threshold support for cg method (#5713)
haozhihan
authored
4b88ee8
Feature: DFT+U for noncollinear spin calculation with PW base (#5703)

dyzheng
and
dyzheng
authored
c9c0189

Commits on Dec 10, 2024

Refactor: add smooth threshold support for `david` method (#5697)
haozhihan
authored
fd3a6d8

Commits on Nov 7, 2024

Feature：Now sDFT support GPU (#5423)
Qianruipku
authored
7da86cd

Commits on Nov 4, 2024

Feature: Add `CG` algorithm to `pyabacus.hsolver` (#5398)
a1henu
authored
5f9a1c6

Commits on Oct 25, 2024

Refactor: Organize code structure to improve maintainability in pyabacus (#5346)
a1henu
authored
729059f

Commits on Oct 24, 2024

Feature: Add Cell for pyabacus (#5247)
jieli-matrix
authored
1b3f76e

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