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Refactor: reduce FFT calls in Leps2 CUDA Test #6994: Pull request #6839 opened by LKFEIYI
14m 34s LKFEIYI:imp_sol
LKFEIYI:imp_sol
14m 34s
[Refactor] Complete clean exposed mathematical library interfaces CUDA Test #6993: Pull request #6838 synchronize by Critsium-xy
8m 50s Critsium-xy:refine_math
Critsium-xy:refine_math
8m 50s
[Refactor] Complete clean exposed mathematical library interfaces CUDA Test #6992: Pull request #6838 synchronize by Critsium-xy
11m 53s Critsium-xy:refine_math
Critsium-xy:refine_math
11m 53s
[GPU] Fix/Improve force calculation on DCU platform CUDA Test #6991: Pull request #6823 synchronize by kunkunblueberry
12m 24s kunkunblueberry:fix_force
kunkunblueberry:fix_force
12m 24s
[Refactor] Complete clean exposed mathematical library interfaces CUDA Test #6990: Pull request #6838 synchronize by Critsium-xy
12m 23s Critsium-xy:refine_math
Critsium-xy:refine_math
12m 23s
[Refactor] Complete clean exposed mathematical library interfaces CUDA Test #6989: Pull request #6838 opened by Critsium-xy
9m 9s Critsium-xy:refine_math
Critsium-xy:refine_math
9m 9s
add DensityMatrix<complex,complex> CUDA Test #6988: Pull request #6834 synchronize by linpeize
11m 34s linpeize:cal_DMR_complex
linpeize:cal_DMR_complex
11m 34s
Refactor implicit solvation model CUDA Test #6987: Pull request #6836 opened by LKFEIYI
14m 38s LKFEIYI:sol_refactor
LKFEIYI:sol_refactor
14m 38s
Fix: Resolve memory leak when using solvation model in relaxing geometry CUDA Test #6986: Pull request #6835 opened by LKFEIYI
5m 51s LKFEIYI:patch-2
LKFEIYI:patch-2
5m 51s
Feature: init_chg hr for initializing charge density with hrs1_nao.csr CUDA Test #6985: Pull request #6791 synchronize by dyzheng
14m 12s dyzheng:restart_dh
dyzheng:restart_dh
14m 12s
Add check for init_wfc to use proper atomic/random starting wavefunction CUDA Test #6984: Pull request #6833 synchronize by Cstandardlib
8m 48s Cstandardlib:check-init-wfc
Cstandardlib:check-init-wfc
8m 48s
Add check for init_wfc to use proper atomic/random starting wavefunction CUDA Test #6983: Pull request #6833 synchronize by Cstandardlib
9m 1s Cstandardlib:check-init-wfc
Cstandardlib:check-init-wfc
9m 1s
Add check for init_wfc to use proper atomic/random starting wavefunction CUDA Test #6982: Pull request #6833 synchronize by Cstandardlib
8m 51s Cstandardlib:check-init-wfc
Cstandardlib:check-init-wfc
8m 51s
Bug: add a warningquit if magnetism is larger than charge CUDA Test #6981: Pull request #6788 synchronize by WHUweiqingzhou
6m 6s WHUweiqingzhou:negative_rho
WHUweiqingzhou:negative_rho
6m 6s
Bug: add a warningquit if magnetism is larger than charge CUDA Test #6980: Pull request #6788 synchronize by WHUweiqingzhou
39s WHUweiqingzhou:negative_rho
WHUweiqingzhou:negative_rho
39s
Bug: add a warningquit if magnetism is larger than charge CUDA Test #6979: Pull request #6788 synchronize by WHUweiqingzhou
39s WHUweiqingzhou:negative_rho
WHUweiqingzhou:negative_rho
39s
Bug: add a warningquit if magnetism is larger than charge CUDA Test #6978: Pull request #6788 reopened by WHUweiqingzhou
42s WHUweiqingzhou:negative_rho
WHUweiqingzhou:negative_rho
42s
Refactor: Remove dependency on shell commands for file operations CUDA Test #6977: Pull request #6826 synchronize by A-006
8m 46s A-006:system_call
A-006:system_call
8m 46s
Refactor: Remove dependency on shell commands for file operations CUDA Test #6976: Pull request #6826 synchronize by A-006
8m 52s A-006:system_call
A-006:system_call
8m 52s
Fix memory leak in efield.cpp and optimize surchem module performance CUDA Test #6975: Pull request #6832 synchronize by LKFEIYI
8m 53s LKFEIYI:develop
LKFEIYI:develop
8m 53s
Fix memory leak in efield.cpp and optimize surchem module performance CUDA Test #6974: Pull request #6832 synchronize by LKFEIYI
8m 48s LKFEIYI:develop
LKFEIYI:develop
8m 48s
add DensityMatrix<complex,complex> CUDA Test #6973: Pull request #6834 opened by linpeize
14m 7s linpeize:cal_DMR_complex
linpeize:cal_DMR_complex
14m 7s
Simplify Lmax and rmesh in Matrix_Orbs and Center2_Orb CUDA Test #6972: Pull request #6829 synchronize by linpeize
8m 0s linpeize:Lmax_center2_3
linpeize:Lmax_center2_3
8m 0s
Add check for init_wfc to use proper atomic/random starting wavefunction CUDA Test #6971: Pull request #6833 opened by Cstandardlib
3m 12s Cstandardlib:check-init-wfc
Cstandardlib:check-init-wfc
3m 12s
Simplify Lmax and rmesh in Matrix_Orbs and Center2_Orb CUDA Test #6970: Pull request #6829 synchronize by linpeize
10m 13s linpeize:Lmax_center2_3
linpeize:Lmax_center2_3
10m 13s