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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
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10749: Pull request #5467 synchronize by 19hello
1m 19s 19hello:mybfgs
19hello:mybfgs
1m 19s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10748: Pull request #5467 synchronize by 19hello
40m 13s 19hello:mybfgs
19hello:mybfgs
40m 13s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10747: Pull request #5521 opened by dyzheng
4h 47m 46s dyzheng:refactor_spin
dyzheng:refactor_spin
4h 47m 46s
Refactor: refactor the relevant code for psi initializer Integration Test and Unit Test #10746: Pull request #5474 synchronize by haozhihan
1h 10m 48s haozhihan:refactor-hsolverpw
haozhihan:refactor-hsolverpw
1h 10m 48s
Fix: support lmax of orbital 5, 6, 7 Integration Test and Unit Test #10745: Pull request #5519 opened by kirk0830
59m 44s kirk0830:fix-read-orb-lmax5
kirk0830:fix-read-orb-lmax5
59m 44s
Fix: fix the compilation failure with DFTD3 autoset implementation Integration Test and Unit Test #10744: Pull request #5517 synchronize by kirk0830
34m 20s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
34m 20s
Fix: fix the compilation failure with DFTD3 autoset implementation Integration Test and Unit Test #10743: Pull request #5517 synchronize by kirk0830
3m 21s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
3m 21s
Fix: fix the compilation failure with DFTD3 autoset implementation Integration Test and Unit Test #10742: Pull request #5517 synchronize by kirk0830
51m 24s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
51m 24s
Refactor: refactor the relevant code for psi initializer Integration Test and Unit Test #10741: Pull request #5474 synchronize by haozhihan
2h 25m 53s haozhihan:refactor-hsolverpw
haozhihan:refactor-hsolverpw
2h 25m 53s
Fix: fix the compilation failure with DFTD3 autoset implementation Integration Test and Unit Test #10740: Pull request #5517 synchronize by kirk0830
17m 38s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
17m 38s
Fix: fix the compilation failure with DFTD3 autoset implementation Integration Test and Unit Test #10739: Pull request #5517 opened by kirk0830
1m 35s kirk0830:fix-dftd3-compilation
kirk0830:fix-dftd3-compilation
1m 35s
Fix: fix the compilation failure with DFTD3 autoset implementation Integration Test and Unit Test #10738: Pull request #5516 opened by kirk0830
6h 55m 18s kirk0830:fix-dftd3-1
kirk0830:fix-dftd3-1
6h 55m 18s
Refactor: make get_S a new esolver Integration Test and Unit Test #10737: Pull request #5515 synchronize by YuLiu98
6h 58m 17s YuLiu98:relax
YuLiu98:relax
6h 58m 17s
Fix: fix a bug of relax_nmax default Integration Test and Unit Test #10736: Pull request #5506 synchronize by WHUweiqingzhou
6h 20m 54s WHUweiqingzhou:relax
WHUweiqingzhou:relax
6h 20m 54s