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Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10774: Pull request #5521 synchronize by dyzheng
1h 6m 37s dyzheng:refactor_spin
dyzheng:refactor_spin
1h 6m 37s
Test: delete threshold files in the examples with warnings and update the result.ref files Integration Test and Unit Test #10773: Pull request #5402 synchronize by WHUweiqingzhou
1h 13m 45s WHUweiqingzhou:test
WHUweiqingzhou:test
1h 13m 45s
Fix: support lmax of orbital 8,9 Integration Test and Unit Test #10772: Pull request #5528 synchronize by QuantumMisaka
37m 12s QuantumMisaka:lmax9
QuantumMisaka:lmax9
37m 12s
Test: correct the INPUT of examples/scf/lcao_Cu and the reference of examples/bsse/water Integration Test and Unit Test #10771: Pull request #5536 opened by pxlxingliang
35m 13s pxlxingliang:example
pxlxingliang:example
35m 13s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10770: Pull request #5521 synchronize by pre-commit-ci-lite bot
2h 28m 42s dyzheng:refactor_spin
dyzheng:refactor_spin
2h 28m 42s
just test, please ignore Integration Test and Unit Test #10769: Pull request #5530 synchronize by pre-commit-ci-lite bot
2h 33m 33s push-the-wall:push-the-wall-patch-1
push-the-wall:push-the-wall-patch-1
2h 33m 33s
Refactor: refactor psi init & wfinit class Integration Test and Unit Test #10768: Pull request #5533 synchronize by haozhihan
3h 56m 59s haozhihan:hsolverpw
haozhihan:hsolverpw
3h 56m 59s
Refactor: refactor psi init & wfinit class Integration Test and Unit Test #10767: Pull request #5533 synchronize by haozhihan
2h 22m 57s haozhihan:hsolverpw
haozhihan:hsolverpw
2h 22m 57s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10766: Pull request #5467 synchronize by 19hello
5h 13m 13s 19hello:mybfgs
19hello:mybfgs
5h 13m 13s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10765: Pull request #5521 synchronize by dyzheng
5h 18m 29s dyzheng:refactor_spin
dyzheng:refactor_spin
5h 18m 29s
just test, please ignore Integration Test and Unit Test #10764: Pull request #5530 synchronize by push-the-wall
6h 33m 45s push-the-wall:push-the-wall-patch-1
push-the-wall:push-the-wall-patch-1
6h 33m 45s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10763: Pull request #5521 synchronize by dyzheng
2h 8m 18s dyzheng:refactor_spin
dyzheng:refactor_spin
2h 8m 18s
Fix: add MPI_Finalize in QUIT function Integration Test and Unit Test #10762: Pull request #5505 synchronize by pre-commit-ci-lite bot
6h 49m 44s kirk0830:tool-quit-1
kirk0830:tool-quit-1
6h 49m 44s
Refactor: refactor psi init & wfinit class Integration Test and Unit Test #10761: Pull request #5533 synchronize by haozhihan
3h 13m 27s haozhihan:hsolverpw
haozhihan:hsolverpw
3h 13m 27s
Refactor: refactor psi init & wfinit class Integration Test and Unit Test #10760: Pull request #5533 opened by haozhihan
30s haozhihan:hsolverpw
haozhihan:hsolverpw
30s
Refactor: merge before_all_runners of tddft and lcao Integration Test and Unit Test #10759: Pull request #5531 synchronize by YuLiu98
3h 1m 28s YuLiu98:tddft
YuLiu98:tddft
3h 1m 28s
Refactor: merge before_all_runners of tddft and lcao Integration Test and Unit Test #10758: Pull request #5531 opened by YuLiu98
33m 40s YuLiu98:tddft
YuLiu98:tddft
33m 40s
just test, please ignore Integration Test and Unit Test #10757: Pull request #5530 opened by push-the-wall
2h 26m 49s push-the-wall:push-the-wall-patch-1
push-the-wall:push-the-wall-patch-1
2h 26m 49s
Fix: support lmax of orbital 8,9 Integration Test and Unit Test #10756: Pull request #5528 opened by QuantumMisaka
2h 24m 48s QuantumMisaka:lmax9
QuantumMisaka:lmax9
2h 24m 48s
Fix: add MPI_Finalize in QUIT function Integration Test and Unit Test #10755: Pull request #5505 synchronize by kirk0830
3h 2m 40s kirk0830:tool-quit-1
kirk0830:tool-quit-1
3h 2m 40s
Fix: fix the stoi failure for output flag out_chg Integration Test and Unit Test #10754: Pull request #5526 opened by kirk0830
1h 18m 11s kirk0830-patch-1
kirk0830-patch-1
1h 18m 11s
Update gint.h Integration Test and Unit Test #10753: Pull request #5525 opened by mohanchen
43m 44s mohanchen-patch-6
mohanchen-patch-6
43m 44s
Fix: set zero for unused psi data for nspin4 Integration Test and Unit Test #10752: Pull request #5524 opened by dyzheng
1h 38m 48s dyzheng:fix_ub_nspin4
dyzheng:fix_ub_nspin4
1h 38m 48s
Refactor: make get_S a new esolver Integration Test and Unit Test #10751: Pull request #5515 synchronize by YuLiu98
37m 14s YuLiu98:relax
YuLiu98:relax
37m 14s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10750: Pull request #5467 synchronize by 19hello
3h 44m 35s 19hello:mybfgs
19hello:mybfgs
3h 44m 35s
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