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History for tests - pplab/abacus-develop · GitHub

Commits

History for

Commits on Jul 18, 2025

Feature: Output real space wavefunction and partial charge density when `device=gpu` (#6391)
AsTonyshment
authored
14ae255

Commits on Jul 14, 2025

Update the outputs of geometry relaxation (#6387)
mohanchen
authored
23271d2

Commits on Jul 10, 2025

Uploading hybrid gauge tddft (#6369)
ESROAMER
authored
8e8c30f

Commits on Jul 5, 2025

Feature: Implement Xu-Wang-Ma KEDF (#6359)
sunliang98
authored
83709c9

Commits on Jul 4, 2025

Commits on Jun 27, 2025

Commits on Jun 26, 2025

Remove INPUT parameter `nbands_istate` and unify the naming of real space wave function and partial charge density (#6336)
AsTonyshment
authored
9631697

Commits on Jun 24, 2025

Fix: skip mix_dmr after the last iteration (#6331)
dzzz2001
authored
2861312

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 22, 2025

Add deepks_out_freq_elec for outputting deepks labels during electronic steps (#6325)
xuan112358
authored
eb9b228

Commits on Jun 21, 2025

Commits on Jun 20, 2025

remove deprecated INPUT exx parameters (#6317)

linpeize
and
PeizeLin
authored
8419964

Commits on Jun 17, 2025

Rename module_esolver to source_esolver (#6300)

Critsium-xy
and
haozhihan
authored
dc4a8f5
Update output filenames for PCHG (#6299)
mohanchen
authored
5011d10

Commits on Jun 13, 2025

Refactor: Combine some checking functions in DeePKS. (#6285)
ErjieWu
authored
3cad424

Commits on Jun 12, 2025

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

authored
7155c3f

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 Jun 3, 2025

Commits on Jun 2, 2025

Change 'istate.info' to 'eig.txt', add explanations for the parameter "out_band" (open files eigs1.txt and eigs2.txt). In the 'after_all_runners" subroutine in SDFT, use after_all_runners from ESol…
mohanchen
authored
9cfa31f

Commits on May 31, 2025

Commits on May 29, 2025

Refactor&Docs: Simplify deepks_bandgap realization and add input value checks. (#6241)
ErjieWu
authored
6c460fd

Commits on May 27, 2025

Update the file names controlled by the out_pot command (#6240)
mohanchen
authored
c7ea97c

Commits on May 26, 2025

Add more types bandgap of labels for deepks (#6226)

Chentao168
and
ErjieWu
authored
91b3c82
Update out_dm and out_dm1 parameters and related documents (#6237)
mohanchen
authored
6c559be

Commits on May 25, 2025

fix a bug, when out_chg becomes 2, the read in function fails (#6235)
mohanchen
authored
2027450

Commits on May 19, 2025

Update the output and readin of electronic wave functions in plane wave basis set (#6223)
mohanchen
authored
f158182

Commits on May 17, 2025

Feature: Support `cube` format real-space wave function output for Plane Wave basis set (#6217)
AsTonyshment
authored
dcbeb06

Commits on May 16, 2025

Resolve the segmentation fault occurring in the pw float implementation (#6130)

A-006
and
mohanchen
authored
15bd8c8

Commits on May 13, 2025

Fix minor INPUT param abuse in get_wf CI/CD test (#6215)
AsTonyshment
authored
281d2a2

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