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History for tools - deepmodeling/abacus-develop · GitHub

Commits

History for

Commits on Aug 25, 2026

Add a python script to test the code quality of ABACUS codes (#7843)

mohanchen
and
abacus_fixer
authored
c9bae03

Commits on Aug 13, 2026

feat: add BSE module (#7718)
Fisherd99
authored
1e4c1c6

Commits on Jul 31, 2026

Add unified H/S matrix output options and gamma-only H(R)/S(R) output (#7707)
goodchong
authored
6aecf0e

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 15, 2026

fix: resolve undefined variable and early termination in aveElecStatPot.py (#7640)
DanielZhao0432
authored
a2a45f8

Commits on Jul 13, 2026

Update source_cell module and agent governance (#7625)

mohanchen
and
abacus_fixer
authored
31c899d

Commits on Jul 8, 2026

Relax PR metadata governance checks (#7607)
QuantumMisaka
authored
4593f9e

Commits on Jul 6, 2026

Refine agent governance global dependency downgrade (#7591)
QuantumMisaka
authored
c9a59ae

Commits on Jul 4, 2026

Modify AI agent (#7586)

authored
69e2b1e

Commits on Jul 3, 2026

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

Critsium-xy
and
claude
authored
12515e5
Add ABACUS agent governance checks (#7505)
QuantumMisaka
authored
0b7a266

Commits on Jun 19, 2026

Add TDOFDFT example and kinetic energy post-processing tool (#7490)

lyb9812
and
claude
authored
660e4d1

Commits on Jun 17, 2026

Reorganize the tools folder (#7470)

authored
d4efc84

Commits on Jun 12, 2026

Feature: Support more options and features in the new script for RT-TDDFT absorption spectrum (#7464)
AsTonyshment
authored
42184c5

Commits on Jun 9, 2026

Move Molden converter to Multiwfn interface (#7424)
Stardust0831
authored
19511fd

Commits on Jun 8, 2026

fix(abacus-plot): fix reshape parameter and PDOS plotting issues (#7455)
mintleaf84
authored
dd2de6e

Commits on Jun 3, 2026

Fix Molden GTO normalization and coordinate conversion (#7421)
Stardust0831
authored
9c8539f

Commits on May 14, 2026

Support non-ASCII (CJK) paths in Windows installer (#7342)

Critsium-xy
and
claude
authored
9ff7599

Commits on Apr 24, 2026

Allow selecting version (#7278)
Critsium-xy
authored
29b51c7

Commits on Apr 22, 2026

[Feature] Add Windows Installer for ABACUS (#7267)

Critsium-xy
and
claude
authored
6beefd0

Commits on Apr 17, 2026

Upload new script for drawing absorption spectra (#7246)
AsTonyshment
authored
9683591

Commits on Dec 3, 2025

Feature: tools for selective dynamics with ABACUS + Phonopy (#6755)
YuLiu98
authored
6a94875

Commits on Nov 2, 2025

Refactor: RT-TDDFT ESolver `ESolver_KS_LCAO_TDDFT` (#6668)
AsTonyshment
authored
704c671

Commits on Sep 3, 2025

Refactor: remove the INPUTw input script and transfer parameters to INPUT (SIAB refactor 1/3) (#6475)
kirk0830
authored
5b37f29

Commits on Aug 31, 2025

Delete useless codes in SIAB directory (#6467)

mohanchen
and
sunliang98
authored
1b891d4

Commits on Aug 27, 2025

update SIAB codes (#6462)
mohanchen
authored
37bdf71

Commits on Aug 4, 2025

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

Commits on Jul 19, 2025

[Refactor] Move module_lr to source_lcao and add a new folder module_external in source_base (#6388)
Critsium-xy
authored
063bd69

Commits on Jul 2, 2025

type 1 fix with std::complex (#6346)
Kai Luo (罗凯)
authored
ca96d8e

Commits on Apr 14, 2025

Refactor: reduce the read-in loop in sts_line (#6148)
YuLiu98
authored
42e098c

Commits on Apr 10, 2025

Feature: add postprocess for stm plot (#6137)
YuLiu98
authored
1026fa4

Commits on Jan 18, 2025

Fix: Output a warning when the lattice vector is left-handed. (#5855)
sunliang98
authored
e927eab

Commits on Nov 15, 2024

Feature: Ground state projection tool for RT-TDDFT (#5477)
ESROAMER
authored
5816785

Commits on Nov 1, 2024

Fix: widen the range of support on STRU file of Molden interface (#5388)
kirk0830
authored
0f44046

Commits on Oct 23, 2024

Add number of threads output in stdout (#5281)

QuantumMisaka
and
pre-commit-ci-lite[bot]
authored
3203ec6

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