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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
update the DCU compile Integration Test and Unit Test #10858: Pull request #5563 synchronize by A-006
40m 54s A-006:fft6
A-006:fft6
40m 54s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10857: Pull request #5564 synchronize by A-006
57m 31s A-006:fft5
A-006:fft5
57m 31s
update the DCU compile Integration Test and Unit Test #10856: Pull request #5563 synchronize by A-006
53m 46s A-006:fft6
A-006:fft6
53m 46s
Update overlap_new.cpp Integration Test and Unit Test #10855: Pull request #5581 opened by mohanchen
1h 41m 28s mohanchen-patch-13-1
mohanchen-patch-13-1
1h 41m 28s
Update LCAO_hamilt.hpp Integration Test and Unit Test #10854: Pull request #5580 opened by mohanchen
1h 9m 23s mohanchen-patch-12
mohanchen-patch-12
1h 9m 23s
Update elecstate.cpp Integration Test and Unit Test #10853: Pull request #5579 opened by mohanchen
38m 40s mohanchen-patch-11
mohanchen-patch-11
38m 40s
Refactor: remove GlobalC::ucell in esolver Integration Test and Unit Test #10852: Pull request #5569 synchronize by YuLiu98
1h 8m 15s YuLiu98:refactor
YuLiu98:refactor
1h 8m 15s
Refactor: remove GlobalC::ucell in esolver Integration Test and Unit Test #10851: Pull request #5569 synchronize by YuLiu98
8m 27s YuLiu98:refactor
YuLiu98:refactor
8m 27s
Refactor: remove GlobalC::ucell in esolver Integration Test and Unit Test #10850: Pull request #5569 synchronize by YuLiu98
5m 29s YuLiu98:refactor
YuLiu98:refactor
5m 29s
refactor: modify the default return value of warning quit to 1 Integration Test and Unit Test #10849: Pull request #5556 synchronize by pre-commit-ci-lite bot
3h 8m 12s pxlxingliang:quit
pxlxingliang:quit
3h 8m 12s
Fix: Fix the warning triggered in error of SCAN_END. Integration Test and Unit Test #10848: Pull request #5576 opened by sunliang98
5h 14m 7s sunliang98:pp-fix
sunliang98:pp-fix
5h 14m 7s
feature: parallel solve subspace diagonalization in dav_subspace Integration Test and Unit Test #10847: Pull request #5549 synchronize by pxlxingliang
4h 58m 14s pxlxingliang:diag
pxlxingliang:diag
4h 58m 14s
feature: parallel solve subspace diagonalization in dav_subspace Integration Test and Unit Test #10846: Pull request #5549 synchronize by pxlxingliang
31m 55s pxlxingliang:diag
pxlxingliang:diag
31m 55s
feature: parallel solve subspace diagonalization in dav_subspace Integration Test and Unit Test #10845: Pull request #5549 synchronize by pxlxingliang
8m 38s pxlxingliang:diag
pxlxingliang:diag
8m 38s
ignoring files/directories starting with Lib in the deps directory Integration Test and Unit Test #10844: Pull request #5574 opened by BariumOxide13716
6h 18m 24s BariumOxide13716:prbranch
BariumOxide13716:prbranch
6h 18m 24s
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