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Fix: fix the compilation failure with DFTD3 autoset implementation
CUDA Test #3804: Pull request #5516 opened by kirk0830
November 18, 2024 09:41 23m 34s kirk0830:fix-dftd3-1
November 18, 2024 09:41 23m 34s
Refactor: make get_S a new esolver
CUDA Test #3803: Pull request #5515 synchronize by YuLiu98
November 18, 2024 09:19 25m 6s YuLiu98:relax
November 18, 2024 09:19 25m 6s
Fix: fix a bug of relax_nmax default
CUDA Test #3802: Pull request #5506 synchronize by WHUweiqingzhou
November 18, 2024 09:17 21m 45s WHUweiqingzhou:relax
November 18, 2024 09:17 21m 45s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3801: Pull request #5467 synchronize by 19hello
November 18, 2024 08:31 13m 29s 19hello:mybfgs
November 18, 2024 08:31 13m 29s
Refactor: make get_S a new esolver
CUDA Test #3800: Pull request #5515 opened by YuLiu98
November 18, 2024 08:07 5m 51s YuLiu98:relax
November 18, 2024 08:07 5m 51s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3799: Pull request #5467 synchronize by 19hello
November 18, 2024 07:41 10m 57s 19hello:mybfgs
November 18, 2024 07:41 10m 57s
Refactor: refactor the relevant code for psi initializer
CUDA Test #3798: Pull request #5474 synchronize by haozhihan
November 18, 2024 07:38 15m 46s haozhihan:refactor-hsolverpw
November 18, 2024 07:38 15m 46s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3797: Pull request #5467 synchronize by 19hello
November 18, 2024 07:33 7m 22s 19hello:mybfgs
November 18, 2024 07:33 7m 22s
add unit test for math_lebedev_laikov
CUDA Test #3796: Pull request #5514 opened by jinzx10
November 18, 2024 07:06 9m 55s jinzx10:issue5470
November 18, 2024 07:06 9m 55s
Test: add unit test for lebedev quadrature
CUDA Test #3795: Pull request #5513 opened by jinzx10
November 18, 2024 06:18 9m 55s jinzx10:issue5470
November 18, 2024 06:18 9m 55s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3794: Pull request #5467 synchronize by 19hello
November 18, 2024 04:58 9m 35s 19hello:mybfgs
November 18, 2024 04:58 9m 35s
Refactor: move dftu_cal_occup_m to dftu
CUDA Test #3793: Pull request #5512 opened by YuLiu98
November 18, 2024 02:08 13m 38s YuLiu98:refactor
November 18, 2024 02:08 13m 38s
Refactor: refactor the relevant code for psi initializer
CUDA Test #3792: Pull request #5474 synchronize by haozhihan
November 17, 2024 12:30 9m 32s haozhihan:refactor-hsolverpw
November 17, 2024 12:30 9m 32s
Refactor: refactor the relevant code for psi initializer
CUDA Test #3791: Pull request #5474 synchronize by haozhihan
November 17, 2024 10:54 9m 34s haozhihan:refactor-hsolverpw
November 17, 2024 10:54 9m 34s
Refactor: refactor the relevant code for psi initializer
CUDA Test #3790: Pull request #5474 synchronize by haozhihan
November 17, 2024 10:24 2m 20s haozhihan:refactor-hsolverpw
November 17, 2024 10:24 2m 20s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3789: Pull request #5467 synchronize by 19hello
November 17, 2024 09:13 11m 1s 19hello:mybfgs
November 17, 2024 09:13 11m 1s
Refactor: refactor the relevant code for psi initializer
CUDA Test #3788: Pull request #5474 synchronize by haozhihan
November 17, 2024 09:02 9m 32s haozhihan:refactor-hsolverpw
November 17, 2024 09:02 9m 32s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3787: Pull request #5467 reopened by 19hello
November 17, 2024 08:56 5m 18s 19hello:mybfgs
November 17, 2024 08:56 5m 18s
Refactor: refactor the relevant code for psi initializer
CUDA Test #3786: Pull request #5474 synchronize by haozhihan
November 17, 2024 08:14 9m 43s haozhihan:refactor-hsolverpw
November 17, 2024 08:14 9m 43s
Implement a new BFGS optimizer, used for geometry relaxation
CUDA Test #3785: Pull request #5467 synchronize by 19hello
November 17, 2024 08:05 7m 8s 19hello:mybfgs
November 17, 2024 08:05 7m 8s
Fix: init nonlocal beta orbitals only when necessary
CUDA Test #3784: Pull request #5511 opened by maki49
November 17, 2024 03:52 10m 3s maki49:develop
November 17, 2024 03:52 10m 3s
Refactor: Preconditioner function library
CUDA Test #3783: Pull request #5482 reopened by maki49
November 17, 2024 03:35 10m 3s maki49:precondition
November 17, 2024 03:35 10m 3s
The PR is tested to determine if any anomalies exist.
CUDA Test #3782: Pull request #5510 synchronize by pre-commit-ci-lite bot
November 16, 2024 13:29 9m 45s jingan-181:develop
November 16, 2024 13:29 9m 45s
The PR is tested to determine if any anomalies exist.
CUDA Test #3781: Pull request #5510 opened by jingan-181
November 16, 2024 12:40 9m 41s jingan-181:develop
November 16, 2024 12:40 9m 41s