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restart from HexxR.csr produced by out_chg (#5586)
Container #2327: Commit 2ba4117 pushed by mohanchen
November 24, 2024 05:03 44m 22s develop
November 24, 2024 05:03 44m 22s
Refactor: remove GlobalC::ucell in esolver (#5569)
Container #2326: Commit 4ac1e8a pushed by mohanchen
November 24, 2024 04:45 37m 13s develop
November 24, 2024 04:45 37m 13s
Update elecstate.cpp (#5579)
Container #2325: Commit c9f7973 pushed by YuLiu98
November 23, 2024 08:01 1h 3m 46s develop
November 23, 2024 08:01 1h 3m 46s
Refactor: remove some unused variables in module_gint (#5568)
Container #2324: Commit 9cc044e pushed by mohanchen
November 23, 2024 03:32 36m 35s develop
November 23, 2024 03:32 36m 35s
Fix: Fix the warning triggered in error of SCAN_END. (#5576)
Container #2323: Commit 2c2ed13 pushed by mohanchen
November 23, 2024 01:47 37m 22s develop
November 23, 2024 01:47 37m 22s
Refactor: remove wf from esolver (#5567)
Container #2322: Commit ed2fecf pushed by mohanchen
November 22, 2024 13:24 3h 56m 28s develop
November 22, 2024 13:24 3h 56m 28s
Refactor: remove init_wfc&mem_saver&out_wfc_pw&out_wfc_r of w…
Container #2321: Commit e0202e0 pushed by WHUweiqingzhou
November 22, 2024 08:05 41s v3.8.3
November 22, 2024 08:05 41s
Refactor: remove init_wfc&mem_saver&out_wfc_pw&out_wfc_r of w…
Container #2320: Commit e0202e0 pushed by haozhihan
November 22, 2024 03:57 36m 33s develop
November 22, 2024 03:57 36m 33s
Update mult_psi_dmr.cpp (#5552)
Container #2319: Commit 54b044b pushed by WHUweiqingzhou
November 22, 2024 02:28 1h 22m 13s develop
November 22, 2024 02:28 1h 22m 13s
Update gint_gamma.h (#5550)
Container #2318: Commit 7f7a308 pushed by WHUweiqingzhou
November 22, 2024 02:26 1h 22m 34s develop
November 22, 2024 02:26 1h 22m 34s
Update init_orb.cpp (#5551)
Container #2317: Commit 8af2923 pushed by WHUweiqingzhou
November 22, 2024 02:25 1h 21m 51s develop
November 22, 2024 02:25 1h 21m 51s
remove the redundant macro in source file (#5562)
Container #2316: Commit e987240 pushed by WHUweiqingzhou
November 22, 2024 02:17 51m 42s develop
November 22, 2024 02:17 51m 42s
swap the sizeof() be the first multiplier to avoid overflow of int (#…
Container #2315: Commit 20efb88 pushed by WHUweiqingzhou
November 22, 2024 02:16 36m 57s develop
November 22, 2024 02:16 36m 57s
Refactor: remove dpks_cal_e_delta_band.cpp (#5560)
Container #2314: Commit 8c3def4 pushed by YuLiu98
November 22, 2024 00:44 52m 28s develop
November 22, 2024 00:44 52m 28s
Refactor: remove pw_init_globalc.cpp (#5559)
Container #2313: Commit c13f16f pushed by YuLiu98
November 22, 2024 00:44 36m 58s develop
November 22, 2024 00:44 36m 58s
Refactor: remove set_matrix_grid (#5558)
Container #2312: Commit 203c66d pushed by Qianruipku
November 21, 2024 11:13 1h 49m 6s develop
November 21, 2024 11:13 1h 49m 6s
Refactor: remove init_after_vc (#5547)
Container #2311: Commit a6d0ba1 pushed by mohanchen
November 21, 2024 03:22 37m 53s develop
November 21, 2024 03:22 37m 53s
Test: correct the INPUT of examples/scf/lcao_Cu and the reference of …
Container #2310: Commit c650aa8 pushed by mohanchen
November 21, 2024 01:35 48m 58s develop
November 21, 2024 01:35 48m 58s
Refactor atom_input and unify the fake atom data structure of grid an…
Container #2309: Commit fdb405a pushed by mohanchen
November 21, 2024 01:34 48m 12s develop
November 21, 2024 01:34 48m 12s
Test: delete threshold files in the examples with warnings and upda…
Container #2308: Commit 68220cf pushed by mohanchen
November 21, 2024 01:32 49m 30s develop
November 21, 2024 01:32 49m 30s
Feature: LR-TDDFT support reading fxc from file or calculating fxc by…
Container #2307: Commit 368495d pushed by mohanchen
November 21, 2024 01:29 50m 39s develop
November 21, 2024 01:29 50m 39s
fix bug: change Mixing_Data::length from int to size_t (#5545)
Container #2306: Commit 7dcc282 pushed by mohanchen
November 21, 2024 01:26 36m 56s develop
November 21, 2024 01:26 36m 56s
Refactor: replace raw pointers to vector in atom_spec.h (#5521)
Container #2305: Commit c7e46be pushed by mohanchen
November 20, 2024 15:16 1h 10m 1s develop
November 20, 2024 15:16 1h 10m 1s
Fix: recover the use of -1 value of out_chg (#5540)
Container #2304: Commit 20b2214 pushed by mohanchen
November 20, 2024 15:10 1h 13m 58s develop
November 20, 2024 15:10 1h 13m 58s
Fix: support lmax of orbital 8,9 (#5528)
Container #2303: Commit 0ecfbc4 pushed by mohanchen
November 20, 2024 05:41 36m 59s develop
November 20, 2024 05:41 36m 59s