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Fix: correct nvc++ compiler compatibility issues (#6854) Container #3138: Commit f96f14e pushed by mohanchen
9s develop
develop
9s
Fix: Yet another wrong index in act_op_kpar for spin-polarized calc… Container #3137: Commit cc9848e pushed by mohanchen
18s develop
develop
18s
Fix: Al ESP result discrepancy & add wavefunction normalization (#6853) Container #3136: Commit 1348a16 pushed by mohanchen
9s develop
develop
9s
Refactor: simplify snap_psibeta_half_tddft.cpp (#6846) Container #3135: Commit f7deafc pushed by mohanchen
9s develop
develop
9s
Refactor ModuleESolver::init_esolver() (#6849) Container #3134: Commit 3fcf5f7 pushed by mohanchen
8s develop
develop
8s
Refactor and Fix Parallel Handling of Plane Wave Counts in Eigenvalue… Container #3133: Commit cd4d234 pushed by mohanchen
28m 43s develop
develop
28m 43s
Container Container #3132: Manually run by ZhouXY-PKU
29m 14s develop
develop
29m 14s
Container Container #3131: Manually run by ZhouXY-PKU
20s develop
develop
20s
[Refactor] Complete rework of diago_lapack (#6843) Container #3130: Commit 8ec123c pushed by mohanchen
19s develop
develop
19s
[Fix] Fix Docker directory permissions in workflow (#6845) Container #3129: Commit 9fd83e5 pushed by mohanchen
10s develop
develop
10s
Container Container #3128: Manually run by ZhouXY-PKU
8s ZhouXY-PKU-patch-docker
ZhouXY-PKU-patch-docker
8s
Feature: init_chg hr for initializing charge density with hrs1_nao… Container #3127: Commit fb7a145 pushed by mohanchen
11s develop
develop
11s
[Refactor] Complete clean exposed mathematical library interfaces (#6… Container #3126: Commit 72f55c4 pushed by mohanchen
18s develop
develop
18s
reduce FFT calls in Leps2 (#6839) Container #3125: Commit 91476ef pushed by mohanchen
12s develop
develop
12s
Fix/Improve force calculation on DCU platform (#6823) Container #3124: Commit e59bbdd pushed by dyzheng
16s LTS
LTS
16s
Refactor: Remove dependency on shell commands for file operations (#… Container #3123: Commit 24ff385 pushed by mohanchen
58m 21s develop
develop
58m 21s
Refactor implicit solvation model (#6836) Container #3122: Commit b07057f pushed by mohanchen
1h 6m 22s develop
develop
1h 6m 22s
add DensityMatrix<complex,complex> (#6834) Container #3121: Commit 226ecb9 pushed by mohanchen
1h 6m 29s develop
develop
1h 6m 29s
Add check for init_wfc to use proper atomic/random starting wavefunct… Container #3120: Commit 23309f2 pushed by mohanchen
1h 30m 40s develop
develop
1h 30m 40s
Refactor class DensityMatrix. (#6831) Container #3119: Commit 586f54c pushed by mohanchen
1h 34m 9s develop
develop
1h 34m 9s
Simplify Lmax and rmesh in Matrix_Orbs and Center2_Orb (#6829) Container #3118: Commit 9c04ee6 pushed by mohanchen
1h 33m 50s develop
develop
1h 33m 50s
Fix: Resolve memory leak when using solvation model (#6835) Container #3117: Commit 427105d pushed by mohanchen
1h 19m 15s develop
develop
1h 19m 15s
[Refactor] Replaced all exposed mathematical library interface (#6828) Container #3116: Commit 80cc432 pushed by mohanchen
59m 42s develop
develop
59m 42s
Add new tests in the integrate tests of LCAO gamma only calculations … Container #3115: Commit 2156598 pushed by mohanchen
49m 55s develop
develop
49m 55s
change reduce (#6827) Container #3114: Commit 06751a0 pushed by mohanchen
53m 50s develop
develop
53m 50s