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deepmodeling
abacus-develop
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Fix divergent energies during EXX cell relaxation
Atomic Simulation Environment (ASE) Plugin Test
#3817:
Pull request
#8099
reopened by
maki49
In progress
maki49:develop
maki49:develop
In progress
View #8099
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Atomic Simulation Environment (ASE) Plugin Test
#3816:
Pull request
#8069
synchronize by
maki49
11m 0s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
11m 0s
View #8069
View workflow file
fix: restore product-rule factor in LCAO DeltaSpin forces
Atomic Simulation Environment (ASE) Plugin Test
#3815:
Pull request
#8117
opened by
aboys-cb
12m 40s
aboys-cb:codex/fix-lcao-deltaspin-force-factor
aboys-cb:codex/fix-lcao-deltaspin-force-factor
12m 40s
View #8117
View workflow file
refactor(deltaspin): split lambda loop diagnostics and add ScState tests
Atomic Simulation Environment (ASE) Plugin Test
#3814:
Pull request
#8116
opened by
hujieting
13m 33s
hujieting:task3-deltaspin-split
hujieting:task3-deltaspin-split
13m 33s
View #8116
View workflow file
refactor(cell): split unitcell.cpp into index/stats/setup files
Atomic Simulation Environment (ASE) Plugin Test
#3813:
Pull request
#8115
opened by
DanielZhao0432
19m 41s
DanielZhao0432:261010-task3-cell-unitcell-split
DanielZhao0432:261010-task3-cell-unitcell-split
19m 41s
View #8115
View workflow file
refactor(parallel_grid): pass KPAR into z_distribution as a parameter
Atomic Simulation Environment (ASE) Plugin Test
#3812:
Pull request
#8114
opened by
MrLi000001
14m 28s
refactor-parallel-grid-kpar
refactor-parallel-grid-kpar
14m 28s
View #8114
View workflow file
refactor(cell): replace raw pointer members with std::vector in Symmetry
Atomic Simulation Environment (ASE) Plugin Test
#3811:
Pull request
#8113
opened by
DanielZhao0432
22m 23s
DanielZhao0432:261010-task2-cell-symm-vector
DanielZhao0432:261010-task2-cell-symm-vector
22m 23s
View #8113
View workflow file
refactor(deltaspin): encapsulate ScState lambda and Mi
Atomic Simulation Environment (ASE) Plugin Test
#3810:
Pull request
#8112
opened by
hujieting
20m 10s
hujieting:task2-deltaspin-encapsulation
hujieting:task2-deltaspin-encapsulation
20m 10s
View #8112
View workflow file
Refactor Parallel_Grid::init into serial/parallel subroutines
Atomic Simulation Environment (ASE) Plugin Test
#3809:
Pull request
#8111
synchronize by
MrLi000001
24m 19s
refactor-parallel-grid-init
refactor-parallel-grid-init
24m 19s
View #8111
View workflow file
Refactor Parallel_Grid::init into serial/parallel subroutines
Atomic Simulation Environment (ASE) Plugin Test
#3808:
Pull request
#8111
synchronize by
MrLi000001
21m 30s
refactor-parallel-grid-init
refactor-parallel-grid-init
21m 30s
View #8111
View workflow file
Refactor Parallel_Grid::init into serial/parallel subroutines
Atomic Simulation Environment (ASE) Plugin Test
#3807:
Pull request
#8111
opened by
MrLi000001
14m 25s
refactor-parallel-grid-init
refactor-parallel-grid-init
14m 25s
View #8111
View workflow file
Refactor DeltaSpin PW subspace cache with std::vector
Atomic Simulation Environment (ASE) Plugin Test
#3806:
Pull request
#8110
opened by
hujieting
12m 19s
hujieting:task1-deltaspin-vector
hujieting:task1-deltaspin-vector
12m 19s
View #8110
View workflow file
refactor(cell): replace new[]/delete[] with std::vector in SepPot
Atomic Simulation Environment (ASE) Plugin Test
#3805:
Pull request
#8109
synchronize by
DanielZhao0432
15m 22s
261010-task1-cell-sep-vector
261010-task1-cell-sep-vector
15m 22s
View #8109
View workflow file
refactor(cell): replace new[]/delete[] with std::vector in SepPot
Atomic Simulation Environment (ASE) Plugin Test
#3804:
Pull request
#8109
opened by
DanielZhao0432
13m 8s
261010-task1-cell-sep-vector
261010-task1-cell-sep-vector
13m 8s
View #8109
View workflow file
Fix divergent energies during EXX cell relaxation
Atomic Simulation Environment (ASE) Plugin Test
#3803:
Pull request
#8099
synchronize by
mohanchen
13m 22s
maki49:develop
maki49:develop
13m 22s
View #8099
View workflow file
fix(esolver): sort DeePMD MD neighbors by distance
Atomic Simulation Environment (ASE) Plugin Test
#3802:
Pull request
#8104
synchronize by
mohanchen
12m 48s
19hello:issue8071-fix
19hello:issue8071-fix
12m 48s
View #8104
View workflow file
Fix #6286: avoid redundant libxc init_func calls in per-point evaluation paths
Atomic Simulation Environment (ASE) Plugin Test
#3801:
Pull request
#8082
synchronize by
mohanchen
12m 16s
mohanchen:2026-10-06-c
mohanchen:2026-10-06-c
12m 16s
View #8082
View workflow file
Fix #8078: Refactor: remove the UnitCell Statistics layer and flattening reference members
Atomic Simulation Environment (ASE) Plugin Test
#3800:
Pull request
#8080
synchronize by
mohanchen
12m 28s
mohanchen:2026-10-06-b
mohanchen:2026-10-06-b
12m 28s
View #8080
View workflow file
Fix 8084: DFT+U refactor step 12
Atomic Simulation Environment (ASE) Plugin Test
#3799:
Pull request
#8077
synchronize by
mohanchen
12m 15s
mohanchen:2026-10-05-line1
mohanchen:2026-10-05-line1
12m 15s
View #8077
View workflow file
Fix part of 6608: Make IO output self-describing: running-log messages, cube data_desc, and ofs_running parameterization
Atomic Simulation Environment (ASE) Plugin Test
#3798:
Pull request
#8068
synchronize by
mohanchen
12m 42s
mohanchen:2026-10-02-6
mohanchen:2026-10-02-6
12m 42s
View #8068
View workflow file
fix: prevent integer overflow in Psi offsets
Atomic Simulation Environment (ASE) Plugin Test
#3797:
Pull request
#8107
opened by
arcusbuilds
13m 12s
arcusbuilds:fix/8088-psi-offset-overflow
arcusbuilds:fix/8088-psi-offset-overflow
13m 12s
View #8107
View workflow file
Fix divergent energies during EXX cell relaxation
Atomic Simulation Environment (ASE) Plugin Test
#3796:
Pull request
#8099
synchronize by
maki49
12m 40s
maki49:develop
maki49:develop
12m 40s
View #8099
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Atomic Simulation Environment (ASE) Plugin Test
#3795:
Pull request
#8069
synchronize by
maki49
13m 26s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
13m 26s
View #8069
View workflow file
feat(librpa): add reader-v1 producer exports
Atomic Simulation Environment (ASE) Plugin Test
#3794:
Pull request
#8053
synchronize by
AroundPeking
13m 1s
AroundPeking:pr-rpa-reader-v1
AroundPeking:pr-rpa-reader-v1
13m 1s
View #8053
View workflow file
Fix: Output dipole moments in Cartesian coordinates for arbitrary lattices in RT-TDDFT
Atomic Simulation Environment (ASE) Plugin Test
#3793:
Pull request
#8105
opened by
AsTonyshment
10m 38s
AsTonyshment:fix/dipole_cartesian
AsTonyshment:fix/dipole_cartesian
10m 38s
View #8105
View workflow file
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