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Feature: make force and stress of sDFT support GPU (#5487) Container #2277: Commit f2e91bd pushed by mohanchen
November 15, 2024 01:58 44m 46s develop
develop
November 15, 2024 01:58 44m 46s
Update esolver_ks_lcao_tddft.h (#5496) Container #2276: Commit 5b1777c pushed by mohanchen
November 15, 2024 01:15 37m 39s develop
develop
November 15, 2024 01:15 37m 39s
Update esolver_ks_lcao.cpp (#5494) Container #2275: Commit d80b5af pushed by YuLiu98
November 14, 2024 23:21 52m 37s develop
develop
November 14, 2024 23:21 52m 37s
Update esolver_ks.h (#5495) Container #2274: Commit 722e922 pushed by YuLiu98
November 14, 2024 23:20 37m 25s develop
develop
November 14, 2024 23:20 37m 25s
Refactor: remove lcao_fun.cpp (#5481) Container #2273: Commit b0503e4 pushed by mohanchen
November 14, 2024 15:18 3h 0m 36s develop
develop
November 14, 2024 15:18 3h 0m 36s
Additional explanations to the example files and fixing result.ref fi… Container #2272: Commit d3aa439 pushed by mohanchen
November 14, 2024 13:35 54m 25s develop
develop
November 14, 2024 13:35 54m 25s
Refactor: move cal_edm_tddft to module_dm (#5485) Container #2271: Commit a95eb5b pushed by mohanchen
November 14, 2024 13:24 1h 4m 3s develop
develop
November 14, 2024 13:24 1h 4m 3s
Fix: compile cuda without openmp (#5488) Container #2270: Commit 8e8cad2 pushed by mohanchen
November 14, 2024 13:23 1h 3m 22s develop
develop
November 14, 2024 13:23 1h 3m 22s
Refactor: move io_npz to ModuleIO (#5475) Container #2269: Commit dcff74d pushed by mohanchen
November 13, 2024 12:50 48m 39s develop
develop
November 13, 2024 12:50 48m 39s
update code format of Exx_LIP (#5473) Container #2268: Commit 3354927 pushed by mohanchen
November 13, 2024 12:49 47m 59s develop
develop
November 13, 2024 12:49 47m 59s
Add gpu recorder (#5471) Container #2267: Commit 890fe37 pushed by mohanchen
November 13, 2024 09:27 2h 7m 45s develop
develop
November 13, 2024 09:27 2h 7m 45s
Fix: let the coverage test pass without checking for its correctness … Container #2266: Commit a2fdb95 pushed by mohanchen
November 13, 2024 06:01 1h 4m 29s develop
develop
November 13, 2024 06:01 1h 4m 29s
Fix the repeated initial guess and use diagonal precondition in LR::H… Container #2265: Commit 4f1be57 pushed by mohanchen
November 13, 2024 06:01 1h 3m 12s develop
develop
November 13, 2024 06:01 1h 3m 12s
Fix: Compiling error for ROCM (#5464) Container #2264: Commit 9718c41 pushed by mohanchen
November 13, 2024 06:00 1h 2m 22s develop
develop
November 13, 2024 06:00 1h 2m 22s
Refactor: remove nscf() (#5455) Container #2263: Commit 9cc7f89 pushed by mohanchen
November 13, 2024 05:59 1h 2m 1s develop
develop
November 13, 2024 05:59 1h 2m 1s
Perf: minor optimization in module_lr (#5435) Container #2262: Commit 2a40059 pushed by mohanchen
November 13, 2024 05:55 1h 3m 55s develop
develop
November 13, 2024 05:55 1h 3m 55s
Toolchain update: use new intel-OneAPI compiler as default (#5458) Container #2261: Commit 05de419 pushed by WHUweiqingzhou
November 13, 2024 05:54 1h 3m 26s develop
develop
November 13, 2024 05:54 1h 3m 26s
Feature: change the default value of printe from 100 to `scf_nmax… Container #2260: Commit 22b85f9 pushed by dyzheng
November 13, 2024 05:52 1h 3m 46s develop
develop
November 13, 2024 05:52 1h 3m 46s
Refactor:Replace the current fft with templates and polymorphism (#5410) Container #2259: Commit 7c46674 pushed by mohanchen
November 12, 2024 04:02 3h 17m 42s develop
develop
November 12, 2024 04:02 3h 17m 42s
Fix R-index mismatch in lr_util_hcontainer (#5456) Container #2258: Commit 8d6e593 pushed by mohanchen
November 12, 2024 03:51 3h 26m 58s develop
develop
November 12, 2024 03:51 3h 26m 58s
Code: divide charge_mixing.cpp into some files (#5427) Container #2257: Commit 2f15c55 pushed by mohanchen
November 12, 2024 03:49 3h 26m 20s develop
develop
November 12, 2024 03:49 3h 26m 20s
Add function to support reading cereal binary format HexxR files. (#5… Container #2256: Commit 42492ee pushed by mohanchen
November 12, 2024 03:48 3h 26m 18s develop
develop
November 12, 2024 03:48 3h 26m 18s
update toolchain LibComm sha256 (#5454) Container #2255: Commit 67e6cbb pushed by mohanchen
November 12, 2024 03:45 3h 27m 21s develop
develop
November 12, 2024 03:45 3h 27m 21s
fixing the sigma value in example input files and adding comments to … Container #2254: Commit 4835dd0 pushed by mohanchen
November 12, 2024 03:36 3h 34m 35s develop
develop
November 12, 2024 03:36 3h 34m 35s
Refactor: runner() of esolver_ks (#5445) Container #2253: Commit c03c879 pushed by mohanchen
November 11, 2024 08:33 2h 32m 32s develop
develop
November 11, 2024 08:33 2h 32m 32s