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Fix: recover the wannier90 interface for lcao_in_pw case (#5177)
Mirror to Gitee Repository #606: Commit ba0cb21 pushed by WHUweiqingzhou
September 26, 2024 05:39 33s develop
September 26, 2024 05:39 33s
Fix: Update function calls in pyabacus to align with new function s…
Mirror to Gitee Repository #605: Commit 3b2e5ad pushed by mohanchen
September 26, 2024 04:04 5m 44s develop
September 26, 2024 04:04 5m 44s
Radial quadrature grid (#5173)
Mirror to Gitee Repository #604: Commit 4f2e453 pushed by mohanchen
September 26, 2024 04:02 2m 33s develop
September 26, 2024 04:02 2m 33s
Fix: timer not closed in TDDFT code (#5172)
Mirror to Gitee Repository #603: Commit 954c358 pushed by mohanchen
September 26, 2024 04:00 33s develop
September 26, 2024 04:00 33s
Fix: init_chg wfc support npsin = 4 now (#5166)
Mirror to Gitee Repository #602: Commit e32341a pushed by Qianruipku
September 25, 2024 08:15 6m 8s develop
September 25, 2024 08:15 6m 8s
Fix: bug of cal_ux (#5165)
Mirror to Gitee Repository #601: Commit fb5beba pushed by Qianruipku
September 24, 2024 12:17 31s develop
September 24, 2024 12:17 31s
Fix docs according to #5133 (#5169)
Mirror to Gitee Repository #600: Commit ca5cc95 pushed by mohanchen
September 24, 2024 11:53 4m 10s develop
September 24, 2024 11:53 4m 10s
use ELPA_WITH_NVIDIA_GPU_VERSION to judge elpa setup gpu (#5163)
Mirror to Gitee Repository #599: Commit b8b3829 pushed by mohanchen
September 24, 2024 11:53 36s develop
September 24, 2024 11:53 36s
Fix: add MPI_Barrier when necessary to avoid unexpected behavoir (#5167)
Mirror to Gitee Repository #598: Commit 286cdc5 pushed by kirk0830
September 24, 2024 06:53 13m 10s develop
September 24, 2024 06:53 13m 10s
Refactor: refactor hsolver-lcao func (#5148)
Mirror to Gitee Repository #597: Commit b083759 pushed by mohanchen
September 24, 2024 04:47 5m 9s develop
September 24, 2024 04:47 5m 9s
Fix: fix a bug in diago_elpa_native.cpp (#5155)
Mirror to Gitee Repository #596: Commit 6212f84 pushed by mohanchen
September 24, 2024 04:42 4m 54s develop
September 24, 2024 04:42 4m 54s
Fix: wrong STRU read in md restart case (#5157)
Mirror to Gitee Repository #595: Commit f356958 pushed by mohanchen
September 24, 2024 04:40 36s develop
September 24, 2024 04:40 36s
Perf&Refactor: optimize the performanace of psi_initializer with omp …
Mirror to Gitee Repository #594: Commit eab9d73 pushed by mohanchen
September 24, 2024 04:36 34s develop
September 24, 2024 04:36 34s
Toolchain 202403 (#5144)
Mirror to Gitee Repository #593: Commit acb792d pushed by mohanchen
September 23, 2024 12:46 5m 0s develop
September 23, 2024 12:46 5m 0s
Fix the undefined behavior in sph_bessel_recursive (#5158)
Mirror to Gitee Repository #592: Commit 81f2541 pushed by mohanchen
September 23, 2024 12:43 3m 42s develop
September 23, 2024 12:43 3m 42s
Refactor: remove useless warning for dp (#5153)
Mirror to Gitee Repository #591: Commit 7c8a4da pushed by mohanchen
September 21, 2024 07:44 2m 53s develop
September 21, 2024 07:44 2m 53s
Refactor: add CalAtomsInfo to modify parameter (#5132)
Mirror to Gitee Repository #590: Commit 90e4921 pushed by mohanchen
September 21, 2024 07:42 30s develop
September 21, 2024 07:42 30s
add ipool != 0 return (#5145)
Mirror to Gitee Repository #589: Commit 80b2c75 pushed by mohanchen
September 20, 2024 14:05 6m 30s develop
September 20, 2024 14:05 6m 30s
Fix read/write HexxR at nspin=4 (#5142)
Mirror to Gitee Repository #588: Commit 75f1e6d pushed by mohanchen
September 20, 2024 14:03 4m 17s develop
September 20, 2024 14:03 4m 17s
Refactor: consistent order of hpsi (#5134)
Mirror to Gitee Repository #587: Commit c4a324d pushed by mohanchen
September 20, 2024 14:03 34s develop
September 20, 2024 14:03 34s
Refactor:Use PARAM instead of ks_solver,nb2d,search_radius (#5138)
Mirror to Gitee Repository #586: Commit 320b07f pushed by Qianruipku
September 20, 2024 10:04 5m 48s develop
September 20, 2024 10:04 5m 48s
Refator:Use PARAM instead of nspin,cal_stress (#5136)
Mirror to Gitee Repository #585: Commit 00df0e2 pushed by Qianruipku
September 19, 2024 12:07 19m 25s develop
September 19, 2024 12:07 19m 25s
Delley's grid for quadrature on the unit sphere (#5131)
Mirror to Gitee Repository #584: Commit c7349b8 pushed by mohanchen
September 19, 2024 04:03 8m 47s develop
September 19, 2024 04:03 8m 47s
move back Kpoint when basis_type="pw" (#5129)
Mirror to Gitee Repository #583: Commit 20d283b pushed by Qianruipku
September 19, 2024 03:10 32s develop
September 19, 2024 03:10 32s
Refactor&Fix: optimize the memory usage by psi_initializer (#5120)
Mirror to Gitee Repository #582: Commit 7d43917 pushed by dyzheng
September 19, 2024 02:32 26m 33s develop
September 19, 2024 02:32 26m 33s