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History for source/source_estate - deepmodeling/abacus-develop · GitHub

Commits

History for

Commits on Aug 29, 2026

Split vnl_pw.cpp into several smaller files (#7869)

mohanchen
and
abacus_fixer
authored
196d199

Commits on Aug 28, 2026

Fix: Initialize LCAO LDOS DMR independently (#7874)
AsTonyshment
authored
1b3baf0
Refactor: Remove obsolete `cg_in_lcao` code (#7870)
AsTonyshment
authored
e461ffd

Commits on Aug 27, 2026

Refactor DFT+U, step 4 (#7861)

mohanchen
and
abacus_fixer
authored
5fb17a6

Commits on Aug 26, 2026

Refactor DFT+U: rename and de-static Plus_U members, step 3 (#7859)

mohanchen
and
abacus_fixer
authored
0aa8d8b
Refactor output formats of deltaspin method (#7857)

authored
07dfb32

Commits on Aug 23, 2026

Fix: Correct PW KPAR/BNDPAR occupations and distributed output (#7845)
AsTonyshment
authored
75145da

Commits on Aug 21, 2026

Feature: Support nspin=4 PW partial-charge and wavefunction `.cube` output (Useful Information to know how to use out_pchg, out_wfc_norm, and out_wfc_re_im functions) (#7841)

AsTonyshment
and
mohanchen
authored
74d75b7

Commits on Aug 19, 2026

Fix 007_PW_UPF201_USPP_Fe in 01_PW: G=0 indexing in nspin=2 mixing inner products (Useful Information to know why previous versions yield small energy differences when nspin=2 with different number…

chengleizheng
and
chengleizheng
authored
cd270a7

Commits on Aug 18, 2026

fix: `get_pchg_lcao.cpp` with c^* c^T (#7821)
Fisherd99
authored
4cf51c6

Commits on Aug 13, 2026

Commits on Aug 12, 2026

fix soc symmetry according to #7664 convention (#7804)

maki49
and
mohanchen
authored
640e7f5
Rename some files and refactor some inclusions (#7796)

mohanchen
and
abacus_fixer
authored
4ec173c
Move some files from source_io to source_base and source_cell (#7789)

mohanchen
and
abacus_fixer
authored
7891ac7

Commits on Aug 7, 2026

Fix/gpu elecstate pw op spin stride (#7776)

authored
b1141ba

Commits on Aug 5, 2026

Feature: Add supersine electric fields and refactor RT-TDDFT field handling (#7767)
AsTonyshment
authored
1ed4802

Commits on Aug 3, 2026

Update cell-relaxation output format (#7752)

mohanchen
and
abacus_fixer
authored
9b7b758
God class UnitCell.h: Remove redundant parts (#7734)

mohanchen
and
abacus_fixer
authored
d40a987

Commits on Aug 2, 2026

Fix: DeltaSpin energy fix (#7748)

dyzheng
and
dyzheng
authored
d8ff3fb

Commits on Aug 1, 2026

Fix non-LCAO elecstate energy test mock (#7736)
Stardust0831
authored
3a7ce9f

Commits on Jul 30, 2026

Move module_gint from source_lcao to source_hamilt (#7710)

mohanchen
and
abacus_fixer
authored
d6ed1fc
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 29, 2026

keep cleaning source_cell (#7684)

mohanchen
and
abacus_fixer
authored
7be31be

Commits on Jul 26, 2026

CMake: Refactor feature build requirements into source/CMakeLists.txt (#7671)
Growl1234
authored
177fa66

Commits on Jul 24, 2026

Commits on Jul 23, 2026

Fix: correct Pauli-to-spinor Hamiltonian conversion for nspin=4 (#7664)
dyzheng
authored
1457e26

Commits on Jul 21, 2026

Commits on Jul 17, 2026

Refactor: move read_orb from source_estate to source_cell (#7634) (#7648)

Critsium-xy
and
claude
authored
cb86cc4

Commits on Jul 13, 2026

Update source_cell module and agent governance (#7625)

mohanchen
and
abacus_fixer
authored
31c899d

Commits on Jul 12, 2026

Try removing GlobalC::exx_info (#7575)

mohanchen
and
abacus_fixer
authored
a76c946

Commits on Jul 6, 2026

Feature: term-separated LCAO Hamiltonian atomic derivatives (dH) (#7473)
maki49
authored
d989b82

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