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Fix: initialize values in module_relax/relax_new (#5696) Doxygen Documentation Deployment #683: Commit fe7c74a pushed by mohanchen
13m 56s develop
develop
13m 56s
Refactor:Remove GlobalC::ucell in module_lr,module_psi (#5691) Doxygen Documentation Deployment #682: Commit f1d6055 pushed by mohanchen
3m 25s develop
develop
3m 25s
try to remove spin_now (#5689) Doxygen Documentation Deployment #681: Commit d3cb289 pushed by mohanchen
3m 20s develop
develop
3m 20s
Refacor: change the order of k-point parallel and band parallel. (#5692) Doxygen Documentation Deployment #680: Commit 3fec10a pushed by mohanchen
40s develop
develop
40s
Refactor: Remove cal_nelec and cal_nbands from unitcell.cpp. (#… Doxygen Documentation Deployment #679: Commit f997e86 pushed by mohanchen
2m 2s develop
develop
2m 2s
refactor: move parallel_2d to module_base (#5625) Doxygen Documentation Deployment #678: Commit 0f79c05 pushed by mohanchen
7m 27s develop
develop
7m 27s
Fix the overwriting between xc kernel components (#5654) Doxygen Documentation Deployment #677: Commit df7e8a5 pushed by mohanchen
2m 38s develop
develop
2m 38s
Fix: init_mixing before beforescf (#5683) Doxygen Documentation Deployment #676: Commit ce1fecf pushed by mohanchen
18m 23s develop
develop
18m 23s
Update bfgs.cpp (#5656) Doxygen Documentation Deployment #675: Commit d1ec60e pushed by mohanchen
7m 36s develop
develop
7m 36s
Refactor: Remove the functions about pseudopotential from Unitcell. (… Doxygen Documentation Deployment #674: Commit 6d26194 pushed by mohanchen
1m 21s develop
develop
1m 21s
Refactor: Move the print of H(k)&S(k) and wavefunctions to after_scf.… Doxygen Documentation Deployment #673: Commit 02b07c6 pushed by YuLiu98
7m 11s develop
develop
7m 11s
Refactor:Remove GlobalC::ucell in module_io (#5677) Doxygen Documentation Deployment #672: Commit e555490 pushed by YuLiu98
3m 35s develop
develop
3m 35s
Refactor:Remove GlobalC::ucell in module_pwdft (#5658) Doxygen Documentation Deployment #671: Commit 3b1fa6e pushed by mohanchen
3m 49s develop
develop
3m 49s
Refactor:Remove GlobalC::ucell in module_relax (#5668) Doxygen Documentation Deployment #670: Commit d11ac5e pushed by mohanchen
3m 51s develop
develop
3m 51s
Refactor: remove GlobalC::Grid_D in hamilt_lcao (#5664) Doxygen Documentation Deployment #669: Commit a363fdf pushed by mohanchen
3m 37s develop
develop
3m 37s
Refactor:Remove GloblaC::ucell in module_hsolver (#5657) Doxygen Documentation Deployment #668: Commit 48065a3 pushed by mohanchen
4m 56s develop
develop
4m 56s
Refactor: replaced the original atomlink data structure with the Stan… Doxygen Documentation Deployment #667: Commit a43cbfb pushed by mohanchen
3m 50s develop
develop
3m 50s
Update version.h (#5660) Doxygen Documentation Deployment #666: Commit b377902 pushed by WHUweiqingzhou
10m 51s develop
develop
10m 51s
Implement a new BFGS optimizer, used for geometry relaxation (#5467) Doxygen Documentation Deployment #665: Commit 028afb0 pushed by mohanchen
5m 3s develop
develop
5m 3s
Refactor:Remove GlobalC::ucell in module_dftu (#5655) Doxygen Documentation Deployment #664: Commit 4a1750a pushed by mohanchen
4m 1s develop
develop
4m 1s
format wf_atomic files (#5653) Doxygen Documentation Deployment #663: Commit 5f1b128 pushed by mohanchen
3m 40s develop
develop
3m 40s
Update elecstate_pw.h (#5651) Doxygen Documentation Deployment #662: Commit a6631a6 pushed by YuLiu98
6m 25s develop
develop
6m 25s
fix a segfault in LR-TDDFT when nspin=1 (#5652) Doxygen Documentation Deployment #661: Commit 8ef9cba pushed by mohanchen
2m 44s develop
develop
2m 44s
Refactor: wavefunc.cpp (#5646) Doxygen Documentation Deployment #660: Commit 8b4d10f pushed by mohanchen
13m 26s develop
develop
13m 26s
Refactor: Remove bpcg dependency on Psi and Hamilt (#5643) Doxygen Documentation Deployment #659: Commit 5ab8ab8 pushed by mohanchen
1m 4s develop
develop
1m 4s
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