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History for examples - deepmodeling/abacus-develop · GitHub

Commits

History for

Commits on Aug 3, 2026

Update cell-relaxation output format (#7752)

mohanchen
and
abacus_fixer
authored
9b7b758

Commits on Aug 1, 2026

Refactor(input): encode relaxation variants in relax_method (#7735)
Stardust0831
authored
aba938d
Fix(input): validate contradictory final parameters (#7731)
Stardust0831
authored
b95f433

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 24, 2026

Fix: Remove nonzero tails beyond spherical Bessel projector cutoffs (Useful Information for updating DeePKS benchmark data) (#7673)
AsTonyshment
authored
854103e

Commits on Jul 3, 2026

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 8, 2026

Add the framework of DFPT in plane wave basis (#7356)

mohanchen
and
abacus_fixer
authored
d0e0915

Commits on May 30, 2026

Update out_chg 2 and out_pot 3, and elf (#7379)

mohanchen
and
abacus_fixer
authored
71f3524

Commits on May 17, 2026

Update write_dipole.cpp (#7349)

mohanchen
and
abacus_fixer
authored
6095b84

Commits on May 7, 2026

Add example Co6Nb4Os2 (#7316)

mohanchen
and
abacus_fixer
authored
468cff5

Commits on Apr 14, 2026

Update examples and interfaces directories (#7238)

mohanchen
and
abacus_fixer
authored
a8b6db9

Commits on Feb 10, 2026

docs: Update example and docs for GPU-LCAO acceleration (#6961)
QuantumMisaka
authored
787376c

Commits on Jan 29, 2026

Refactor: rename to delete new from names of operators in source_lcao (#6920)

dyzheng
and
dyzheng
authored
db59dcc

Commits on Oct 13, 2025

Fix: Resolve the output of E_bandgap (#6590)
sunliang98
authored
1468935

Commits on Oct 9, 2025

Clean and Reconstruct ESolver --- 3rd time (#6567)
mohanchen
authored
d9ac0c6

Commits on Sep 23, 2025

Update output formats, prepare for ABACUS 3.11 version (#6522)
mohanchen
authored
073f7dc

Commits on Sep 6, 2025

Update out_dmk and out_dmr (#6481)
mohanchen
authored
9e6bb70

Commits on Jul 1, 2025

Remove useless and outdated `write_psi_r_1` interface and improve related docs and examples (#6345)
AsTonyshment
authored
2260530

Commits on Jun 23, 2025

Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue (#6326)
mohanchen
authored
80c5265

Commits on Jun 13, 2025

Change examples and update DOS files, etc. (#6291)
mohanchen
authored
725baaf

Commits on Jun 9, 2025

Update the 'get_s' command and related description. Update the 'DOS' output filenames. Move some functions in 'after_all_runners' to 'after_scf'. Change 'out_dm' to 'out_dmk' and change 'out_dm1' t…
mohanchen
authored
20142c8

Commits on May 10, 2025

Test: Add RT-TDDFT GPU integrate tests and fix some related bugs/typos (#6201)
AsTonyshment
authored
eb20d48

Commits on Mar 11, 2025

test: correct INPUT of examples/spin_polarized/ATOM (#5998)
pxlxingliang
authored
992f39e

Commits on Mar 10, 2025

Feature: Hybrid functionals for planewave basis (#5940)

authored
33d0b4f

Commits on Jan 18, 2025

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

Commits on Jan 6, 2025

Refactor: modify decimal digit of wfc to 8 (#5820)

YuLiu98
and
pre-commit-ci-lite[bot]
authored
1b49590

Commits on Dec 25, 2024

Feature: LR-TDDFT absorption spectrum in velocity gauge (#5760)
maki49
authored
0cdab49

Commits on Dec 11, 2024

Update Wannier90 interface document. (#5714)
jingan-181
authored
5280bd4

Commits on Nov 21, 2024

Test: correct the INPUT of examples/scf/lcao_Cu and the reference of examples/bsse/water (#5536)

pxlxingliang
and
kirk0830
authored
c650aa8

Commits on Nov 14, 2024

Additional explanations to the example files and fixing result.ref file in examples/bsse/water (#5484)
BariumOxide13716
authored
d3aa439

Commits on Nov 12, 2024

fixing the sigma value in example input files and adding comments to the ecutwfc keyword (#5451)
BariumOxide13716
authored
4835dd0

Commits on Nov 6, 2024

Fix: update the example of vdwd3 acoording to the latest impl. (#5418)
kirk0830
authored
d533ad5

Commits on Oct 18, 2024

Modify the berry phase document. (#5293)
jingan-181
authored
1a11dac

Commits on Oct 16, 2024

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

authored
a5c35d9

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