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Update mult_psi_dmr.cpp (#5552) Container #2319: Commit 54b044b pushed by WHUweiqingzhou
1h 22m 13s develop
develop
1h 22m 13s
Update gint_gamma.h (#5550) Container #2318: Commit 7f7a308 pushed by WHUweiqingzhou
1h 22m 34s develop
develop
1h 22m 34s
Update init_orb.cpp (#5551) Container #2317: Commit 8af2923 pushed by WHUweiqingzhou
1h 21m 51s develop
develop
1h 21m 51s
remove the redundant macro in source file (#5562) Container #2316: Commit e987240 pushed by WHUweiqingzhou
51m 42s develop
develop
51m 42s
swap the sizeof() be the first multiplier to avoid overflow of int (#… Container #2315: Commit 20efb88 pushed by WHUweiqingzhou
36m 57s develop
develop
36m 57s
Refactor: remove dpks_cal_e_delta_band.cpp (#5560) Container #2314: Commit 8c3def4 pushed by YuLiu98
52m 28s develop
develop
52m 28s
Refactor: remove pw_init_globalc.cpp (#5559) Container #2313: Commit c13f16f pushed by YuLiu98
36m 58s develop
develop
36m 58s
Refactor: remove set_matrix_grid (#5558) Container #2312: Commit 203c66d pushed by Qianruipku
1h 49m 6s develop
develop
1h 49m 6s
Refactor: remove init_after_vc (#5547) Container #2311: Commit a6d0ba1 pushed by mohanchen
37m 53s develop
develop
37m 53s
Test: correct the INPUT of examples/scf/lcao_Cu and the reference of … Container #2310: Commit c650aa8 pushed by mohanchen
48m 58s develop
develop
48m 58s
Refactor atom_input and unify the fake atom data structure of grid an… Container #2309: Commit fdb405a pushed by mohanchen
48m 12s develop
develop
48m 12s
Test: delete threshold files in the examples with warnings and upda… Container #2308: Commit 68220cf pushed by mohanchen
49m 30s develop
develop
49m 30s
Feature: LR-TDDFT support reading fxc from file or calculating fxc by… Container #2307: Commit 368495d pushed by mohanchen
50m 39s develop
develop
50m 39s
fix bug: change Mixing_Data::length from int to size_t (#5545) Container #2306: Commit 7dcc282 pushed by mohanchen
36m 56s develop
develop
36m 56s
Refactor: replace raw pointers to vector in atom_spec.h (#5521) Container #2305: Commit c7e46be pushed by mohanchen
1h 10m 1s develop
develop
1h 10m 1s
Fix: recover the use of -1 value of out_chg (#5540) Container #2304: Commit 20b2214 pushed by mohanchen
1h 13m 58s develop
develop
1h 13m 58s
Fix: support lmax of orbital 8,9 (#5528) Container #2303: Commit 0ecfbc4 pushed by mohanchen
36m 59s develop
develop
36m 59s
Refactor: refactor psi init & wfinit class (#5533) Container #2302: Commit 2649152 pushed by mohanchen
36m 51s develop
develop
36m 51s
Refactor: merge before_all_runners of tddft and lcao (#5531) Container #2301: Commit 8b98a20 pushed by mohanchen
4h 10m 41s develop
develop
4h 10m 41s
Fix: set zero for unused psi data for nspin4 (#5524) Container #2300: Commit 8040017 pushed by mohanchen
3h 2m 35s develop
develop
3h 2m 35s
Fix: fix the stoi failure for output flag out_chg (#5526) Container #2299: Commit 7ef0528 pushed by mohanchen
3h 1m 46s develop
develop
3h 1m 46s
Update gint.h (#5525) Container #2298: Commit f041019 pushed by mohanchen
3h 0m 52s develop
develop
3h 0m 52s
Refactor: refactor the relevant code for psi initializer (#5474) Container #2297: Commit 30c9b28 pushed by Qianruipku
2h 39m 44s develop
develop
2h 39m 44s
Refactor: make get_S a new esolver (#5515) Container #2296: Commit da1baf5 pushed by mohanchen
1h 27m 41s develop
develop
1h 27m 41s
init nonlocal beta orbitals only when necessary (#5511) Container #2295: Commit f68dc9f pushed by mohanchen
1h 32m 48s develop
develop
1h 32m 48s