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add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) CUDA Test #3946: Pull request #5325 synchronize by JGHan7
34m 12s JGHan7:rdmft_PR
JGHan7:rdmft_PR
34m 12s
Refactor: split sum_stoband to sum_stoband and cal_storho in sDFT CUDA Test #3945: Pull request #5600 opened by Qianruipku
22m 49s Qianruipku:hotfix
Qianruipku:hotfix
22m 49s
update the DCU compile CUDA Test #3944: Pull request #5563 synchronize by Qianruipku
19m 55s A-006:fft6
A-006:fft6
19m 55s
Grid batching by adapted cut-plane CUDA Test #3943: Pull request #5599 opened by jinzx10
30m 28s jinzx10:grid_batch
jinzx10:grid_batch
30m 28s
Refactor:Remove the dependency of the Psi in the FFT module CUDA Test #3942: Pull request #5564 synchronize by A-006
14m 56s A-006:fft5
A-006:fft5
14m 56s
Feature: set relax_nmax=0 to enable dry run CUDA Test #3941: Pull request #5595 synchronize by YuLiu98
9m 52s YuLiu98:dry_run
YuLiu98:dry_run
9m 52s
Implement a new BFGS optimizer, used for geometry relaxation CUDA Test #3940: Pull request #5467 synchronize by 19hello
13m 58s 19hello:mybfgs
19hello:mybfgs
13m 58s
Feature: set relax_nmax=0 to enable dry run CUDA Test #3939: Pull request #5595 opened by YuLiu98
21m 29s YuLiu98:dry_run
YuLiu98:dry_run
21m 29s
Refactor: remove template for get_S CUDA Test #3938: Pull request #5593 opened by YuLiu98
10m 1s YuLiu98:get_s
YuLiu98:get_s
10m 1s
update the DCU compile CUDA Test #3937: Pull request #5563 synchronize by A-006
10m 2s A-006:fft6
A-006:fft6
10m 2s
update the DCU compile CUDA Test #3936: Pull request #5563 synchronize by A-006
16s A-006:fft6
A-006:fft6
16s
feature: parallel solve subspace diagonalization in dav_subspace CUDA Test #3935: Pull request #5549 synchronize by pxlxingliang
26m 17s pxlxingliang:diag
pxlxingliang:diag
26m 17s
Refactor: move tmp charge density output to esolver_ks CUDA Test #3934: Pull request #5592 opened by YuLiu98
9m 45s YuLiu98:refactor
YuLiu98:refactor
9m 45s
Build(deps): Bump codecov/codecov-action from 4 to 5 CUDA Test #3933: Pull request #5590 opened by dependabot bot
10m 2s dependabot/github_actions/codecov/codecov-action-5
dependabot/github_actions/codecov/codecov-action-5
10m 2s
Fix format issues in online manual CUDA Test #3932: Pull request #5588 opened by xuan112358
10m 3s xuan112358:docs
xuan112358:docs
10m 3s
update the DCU compile CUDA Test #3931: Pull request #5563 synchronize by Qianruipku
10m 18s A-006:fft6
A-006:fft6
10m 18s
Fix: EXX suports restart scf from HexxR.csr produced by out_chg CUDA Test #3930: Pull request #5586 opened by maki49
9m 55s maki49:restart_csr
maki49:restart_csr
9m 55s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) CUDA Test #3929: Pull request #5325 synchronize by JGHan7
22m 17s JGHan7:rdmft_PR
JGHan7:rdmft_PR
22m 17s
Refactor: remove GlobalC::ucell in esolver CUDA Test #3928: Pull request #5569 synchronize by YuLiu98
13m 53s YuLiu98:refactor
YuLiu98:refactor
13m 53s
Implement a new BFGS optimizer, used for geometry relaxation CUDA Test #3927: Pull request #5467 synchronize by 19hello
13m 8s 19hello:mybfgs
19hello:mybfgs
13m 8s
Refactor:Remove the dependency of the Psi in the FFT module CUDA Test #3926: Pull request #5564 synchronize by A-006
9m 24s A-006:fft5
A-006:fft5
9m 24s
Update operator_lcao.h CUDA Test #3925: Pull request #5584 opened by mohanchen
10m 37s mohanchen-patch-14
mohanchen-patch-14
10m 37s
update the DCU compile CUDA Test #3924: Pull request #5563 synchronize by A-006
9m 31s A-006:fft6
A-006:fft6
9m 31s
Refactor:Remove the dependency of the Psi in the FFT module CUDA Test #3923: Pull request #5564 synchronize by A-006
22m 0s A-006:fft5
A-006:fft5
22m 0s
update the DCU compile CUDA Test #3922: Pull request #5563 synchronize by A-006
9m 36s A-006:fft6
A-006:fft6
9m 36s