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Add "#TOTAL ENERGY#" after each ion step (#6342) Container #2754: Commit e7917d4 pushed by mohanchen
46m 2s develop
develop
46m 2s
add exx nscf file check (#6289) Container #2753: Commit e84abb4 pushed by PeizeLin
21m 19s LTS
LTS
21m 19s
Rename module_md module_relax module_hamilt_lcao module_io (#6340) Container #2752: Commit adaa38e pushed by mohanchen
46m 10s develop
develop
46m 10s
new gint module (This is a big PR that replaces old integral codes) (… Container #2751: Commit 96730e8 pushed by mohanchen
47m 36s develop
develop
47m 36s
Remove INPUT parameter nbands_istate and unify the naming of real s… Container #2750: Commit 9631697 pushed by mohanchen
1h 0m 23s develop
develop
1h 0m 23s
Fix: Fix Compile Error on CUDA Version > 12.9 (#6337) Container #2749: Commit 37bc08a pushed by mohanchen
46m 17s develop
develop
46m 17s
[Refactor] Rename module_elecstate and module_psi and module_hamilt_p… Container #2748: Commit 3e3f708 pushed by mohanchen
45m 51s develop
develop
45m 51s
Refactor: clean Davidson code, remove deprecated overlap matrix scc r… Container #2747: Commit 17d9f1d pushed by mohanchen
1h 4m 52s develop
develop
1h 4m 52s
Fix: skip mix_dmr after the last iteration (#6331) Container #2746: Commit 2861312 pushed by mohanchen
50m 18s develop
develop
50m 18s
Refactor: release the limit (<150) on length of comment lines of INPU… Container #2745: Commit 71a7b2d pushed by mohanchen
1h 0m 25s develop
develop
1h 0m 25s
Reformat running log, delete 'printe' command in INPUT and fix the ou… Container #2744: Commit 80c5265 pushed by mohanchen
45m 35s develop
develop
45m 35s
Add deepks_out_freq_elec for outputting deepks labels during electron… Container #2743: Commit eb9b228 pushed by xuan112358
44m 28s develop
develop
44m 28s
[Refactor] Rename module_basis to source_basis || module_cell to sour… Container #2742: Commit 7f417b2 pushed by mohanchen
45m 19s develop
develop
45m 19s
Feature&Doc&Tests: Support for deepks_v_delta=-1&-2 (#6245) Container #2741: Commit f049059 pushed by mohanchen
45m 37s develop
develop
45m 37s
change INPUT exx_ for linear combination of coulomb_param (#6316) Container #2740: Commit 867adf7 pushed by mohanchen
1h 32m 8s develop
develop
1h 32m 8s
1. change Exx_Info_Global::coulomb_param from unordered_map to map (D… Container #2739: Commit 9cd3350 pushed by mohanchen
1h 52m 45s develop
develop
1h 52m 45s
Fix reinterpret bug for c10::complex<double>. (#6321) Container #2738: Commit 44ff32e pushed by mohanchen
1h 18m 14s develop
develop
1h 18m 14s
Update version.h (#6320) Container #2737: Commit 7620b59 pushed by xuan112358
1h 35m 51s v3.9.0.8
v3.9.0.8
1h 35m 51s
Update version.h (#6320) Container #2736: Commit 7620b59 pushed by xuan112358
46m 28s develop
develop
46m 28s
remove deprecated INPUT exx parameters (#6317) Container #2735: Commit 8419964 pushed by mohanchen
45m 23s develop
develop
45m 23s
print out geometry information during bfgs_trad relax (#6314) Container #2734: Commit 5f96c22 pushed by mohanchen
1h 0m 36s develop
develop
1h 0m 36s
Refactor: change the name of keyword force_thr_ev2 to `force_zero_o… Container #2733: Commit 8d6b780 pushed by mohanchen
59m 44s develop
develop
59m 44s
[Refactor] Rename module_base to source_base (#6311) Container #2732: Commit abcb9f2 pushed by mohanchen
45m 12s develop
develop
45m 12s
Refactor: the ccp parameters to support additional Coulomb matrix con… Container #2731: Commit a145293 pushed by mohanchen
45m 33s develop
develop
45m 33s
Combine relax_new with relax_old (#6303) Container #2730: Commit fe44679 pushed by mohanchen
45m 25s develop
develop
45m 25s