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Refactor: refactor psi init & wfinit class CUDA Test #3826: Pull request #5533 opened by haozhihan
30s haozhihan:hsolverpw
haozhihan:hsolverpw
30s
Refactor: merge before_all_runners of tddft and lcao CUDA Test #3825: Pull request #5531 synchronize by YuLiu98
1h 16m 13s YuLiu98:tddft
YuLiu98:tddft
1h 16m 13s
Refactor: merge before_all_runners of tddft and lcao CUDA Test #3824: Pull request #5531 opened by YuLiu98
33m 40s YuLiu98:tddft
YuLiu98:tddft
33m 40s
just test, please ignore CUDA Test #3823: Pull request #5530 opened by push-the-wall
1h 47m 32s push-the-wall:push-the-wall-patch-1
push-the-wall:push-the-wall-patch-1
1h 47m 32s
Fix: support lmax of orbital 8,9 CUDA Test #3822: Pull request #5528 opened by QuantumMisaka
2h 12m 50s QuantumMisaka:lmax9
QuantumMisaka:lmax9
2h 12m 50s
Fix: add MPI_Finalize in QUIT function CUDA Test #3821: Pull request #5505 synchronize by kirk0830
3h 3m 35s kirk0830:tool-quit-1
kirk0830:tool-quit-1
3h 3m 35s
Fix: fix the stoi failure for output flag out_chg CUDA Test #3820: Pull request #5526 opened by kirk0830
2h 11m 31s kirk0830-patch-1
kirk0830-patch-1
2h 11m 31s
Update gint.h CUDA Test #3819: Pull request #5525 opened by mohanchen
2h 2m 50s mohanchen-patch-6
mohanchen-patch-6
2h 2m 50s
Fix: set zero for unused psi data for nspin4 CUDA Test #3818: Pull request #5524 opened by dyzheng
1h 21m 56s dyzheng:fix_ub_nspin4
dyzheng:fix_ub_nspin4
1h 21m 56s
Refactor: make get_S a new esolver CUDA Test #3817: Pull request #5515 synchronize by YuLiu98
10m 8s YuLiu98:relax
YuLiu98:relax
10m 8s
Implement a new BFGS optimizer, used for geometry relaxation CUDA Test #3816: Pull request #5467 synchronize by 19hello
13m 7s 19hello:mybfgs
19hello:mybfgs
13m 7s
Implement a new BFGS optimizer, used for geometry relaxation CUDA Test #3815: Pull request #5467 synchronize by 19hello
1m 23s 19hello:mybfgs
19hello:mybfgs
1m 23s
Implement a new BFGS optimizer, used for geometry relaxation CUDA Test #3814: Pull request #5467 synchronize by 19hello
13m 36s 19hello:mybfgs
19hello:mybfgs
13m 36s
Refactor: replace raw pointers to vector in atom_spec.h CUDA Test #3813: Pull request #5521 opened by dyzheng
38s dyzheng:refactor_spin
dyzheng:refactor_spin
38s
Refactor: refactor the relevant code for psi initializer CUDA Test #3812: Pull request #5474 synchronize by haozhihan
10m 4s haozhihan:refactor-hsolverpw
haozhihan:refactor-hsolverpw
10m 4s
Fix: support lmax of orbital 5, 6, 7 CUDA Test #3811: Pull request #5519 opened by kirk0830
10m 20s kirk0830:fix-read-orb-lmax5
kirk0830:fix-read-orb-lmax5
10m 20s
Fix: fix the compilation failure with DFTD3 autoset implementation CUDA Test #3810: Pull request #5517 synchronize by kirk0830
9m 47s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
9m 47s
Fix: fix the compilation failure with DFTD3 autoset implementation CUDA Test #3809: Pull request #5517 synchronize by kirk0830
3m 26s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
3m 26s
Fix: fix the compilation failure with DFTD3 autoset implementation CUDA Test #3808: Pull request #5517 synchronize by kirk0830
13m 47s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
13m 47s
Refactor: refactor the relevant code for psi initializer CUDA Test #3807: Pull request #5474 synchronize by haozhihan
19m 39s haozhihan:refactor-hsolverpw
haozhihan:refactor-hsolverpw
19m 39s
Fix: fix the compilation failure with DFTD3 autoset implementation CUDA Test #3806: Pull request #5517 synchronize by kirk0830
13m 12s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
13m 12s
Fix: fix the compilation failure with DFTD3 autoset implementation CUDA Test #3805: Pull request #5517 opened by kirk0830
1m 39s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
1m 39s
Fix: fix the compilation failure with DFTD3 autoset implementation CUDA Test #3804: Pull request #5516 opened by kirk0830
23m 34s kirk0830:fix-dftd3-1
kirk0830:fix-dftd3-1
23m 34s
Refactor: make get_S a new esolver CUDA Test #3803: Pull request #5515 synchronize by YuLiu98
25m 6s YuLiu98:relax
YuLiu98:relax
25m 6s
Fix: fix a bug of relax_nmax default CUDA Test #3802: Pull request #5506 synchronize by WHUweiqingzhou
21m 45s WHUweiqingzhou:relax
WHUweiqingzhou:relax
21m 45s