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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
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10735: Pull request #5467 synchronize by 19hello
5h 53m 58s 19hello:mybfgs
19hello:mybfgs
5h 53m 58s
Refactor: make get_S a new esolver Integration Test and Unit Test #10734: Pull request #5515 opened by YuLiu98
1h 11m 57s YuLiu98:relax
YuLiu98:relax
1h 11m 57s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10733: Pull request #5467 synchronize by 19hello
50m 53s 19hello:mybfgs
19hello:mybfgs
50m 53s
Refactor: refactor the relevant code for psi initializer Integration Test and Unit Test #10732: Pull request #5474 synchronize by haozhihan
2h 18m 52s haozhihan:refactor-hsolverpw
haozhihan:refactor-hsolverpw
2h 18m 52s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10731: Pull request #5467 synchronize by 19hello
7m 14s 19hello:mybfgs
19hello:mybfgs
7m 14s
add unit test for math_lebedev_laikov Integration Test and Unit Test #10730: Pull request #5514 opened by jinzx10
34m 47s jinzx10:issue5470
jinzx10:issue5470
34m 47s
Test: add unit test for lebedev quadrature Integration Test and Unit Test #10729: Pull request #5513 opened by jinzx10
34m 50s jinzx10:issue5470
jinzx10:issue5470
34m 50s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10728: Pull request #5467 synchronize by 19hello
34m 55s 19hello:mybfgs
19hello:mybfgs
34m 55s