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Refactor: move psiinit file to hsolver folder Integration Test and Unit Test #10883: Pull request #5601 opened by haozhihan
4h 45m 54s haozhihan:move-psi-init
haozhihan:move-psi-init
4h 45m 54s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10882: Pull request #5564 synchronize by A-006
5h 7m 19s A-006:fft5
A-006:fft5
5h 7m 19s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10881: Pull request #5564 synchronize by A-006
35m 39s A-006:fft5
A-006:fft5
35m 39s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) Integration Test and Unit Test #10880: Pull request #5325 synchronize by JGHan7
6h 42m 8s JGHan7:rdmft_PR
JGHan7:rdmft_PR
6h 42m 8s
Refactor: split sum_stoband to sum_stoband and cal_storho in sDFT Integration Test and Unit Test #10879: Pull request #5600 opened by Qianruipku
6h 26m 15s Qianruipku:hotfix
Qianruipku:hotfix
6h 26m 15s
update the DCU compile Integration Test and Unit Test #10878: Pull request #5563 synchronize by Qianruipku
5h 21m 48s A-006:fft6
A-006:fft6
5h 21m 48s
Grid batching by adapted cut-plane Integration Test and Unit Test #10877: Pull request #5599 opened by jinzx10
6h 0m 14s jinzx10:grid_batch
jinzx10:grid_batch
6h 0m 14s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10876: Pull request #5564 synchronize by A-006
2h 39m 21s A-006:fft5
A-006:fft5
2h 39m 21s
Feature: set relax_nmax=0 to enable dry run Integration Test and Unit Test #10875: Pull request #5595 synchronize by YuLiu98
6h 28m 57s YuLiu98:dry_run
YuLiu98:dry_run
6h 28m 57s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10874: Pull request #5467 synchronize by 19hello
6h 44m 51s 19hello:mybfgs
19hello:mybfgs
6h 44m 51s
Feature: set relax_nmax=0 to enable dry run Integration Test and Unit Test #10873: Pull request #5595 opened by YuLiu98
3h 0m 40s YuLiu98:dry_run
YuLiu98:dry_run
3h 0m 40s
Refactor: remove template for get_S Integration Test and Unit Test #10872: Pull request #5593 opened by YuLiu98
8h 6m 17s YuLiu98:get_s
YuLiu98:get_s
8h 6m 17s
update the DCU compile Integration Test and Unit Test #10871: Pull request #5563 synchronize by A-006
2h 39m 9s A-006:fft6
A-006:fft6
2h 39m 9s
update the DCU compile Integration Test and Unit Test #10870: Pull request #5563 synchronize by A-006
13s A-006:fft6
A-006:fft6
13s
feature: parallel solve subspace diagonalization in dav_subspace Integration Test and Unit Test #10869: Pull request #5549 synchronize by pxlxingliang
2h 7m 49s pxlxingliang:diag
pxlxingliang:diag
2h 7m 49s
Refactor: move tmp charge density output to esolver_ks Integration Test and Unit Test #10868: Pull request #5592 opened by YuLiu98
1h 11m 26s YuLiu98:refactor
YuLiu98:refactor
1h 11m 26s
Build(deps): Bump codecov/codecov-action from 4 to 5 Integration Test and Unit Test #10867: Pull request #5590 opened by dependabot bot
34m 34s dependabot/github_actions/codecov/codecov-action-5
dependabot/github_actions/codecov/codecov-action-5
34m 34s
Fix format issues in online manual Integration Test and Unit Test #10866: Pull request #5588 opened by xuan112358
34m 39s xuan112358:docs
xuan112358:docs
34m 39s
update the DCU compile Integration Test and Unit Test #10865: Pull request #5563 synchronize by Qianruipku
1h 12m 7s A-006:fft6
A-006:fft6
1h 12m 7s
Fix: EXX suports restart scf from HexxR.csr produced by out_chg Integration Test and Unit Test #10864: Pull request #5586 opened by maki49
35m 2s maki49:restart_csr
maki49:restart_csr
35m 2s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) Integration Test and Unit Test #10863: Pull request #5325 synchronize by JGHan7
45m 47s JGHan7:rdmft_PR
JGHan7:rdmft_PR
45m 47s
Refactor: remove GlobalC::ucell in esolver Integration Test and Unit Test #10862: Pull request #5569 synchronize by YuLiu98
35m 43s YuLiu98:refactor
YuLiu98:refactor
35m 43s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10861: Pull request #5467 synchronize by 19hello
1h 51m 59s 19hello:mybfgs
19hello:mybfgs
1h 51m 59s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10860: Pull request #5564 synchronize by A-006
1h 24m 38s A-006:fft5
A-006:fft5
1h 24m 38s
Update operator_lcao.h Integration Test and Unit Test #10859: Pull request #5584 opened by mohanchen
1h 0m 20s mohanchen-patch-14
mohanchen-patch-14
1h 0m 20s
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