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devcontainer.yml
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Refactor: replace pvpr with hcontainer (#5490) Container #2285: Commit 6ec2919 pushed by mohanchen
51m 45s develop
develop
51m 45s
Tests: supplementing some tests with OPENMP check directives (#5504) Container #2284: Commit 376f28e pushed by mohanchen
36m 59s develop
develop
36m 59s
Feature: Ground state projection tool for RT-TDDFT (#5477) Container #2283: Commit 5816785 pushed by mohanchen
4h 38m 5s develop
develop
4h 38m 5s
Feature: (minor) support various boolean expressions for outputting f… Container #2282: Commit 4087ffd pushed by mohanchen
4h 38m 12s develop
develop
4h 38m 12s
Fix: nscf for hse (#5499) Container #2281: Commit c440291 pushed by mohanchen
4h 37m 31s develop
develop
4h 37m 31s
Update esolver_ks_pw.cpp (#5498) Container #2280: Commit f381836 pushed by mohanchen
4h 53m 44s develop
develop
4h 53m 44s
Fix GPU memory recorder's memory leak (#5491) Container #2279: Commit 6bff8e3 pushed by WHUweiqingzhou
6h 20m 17s v3.8.3
v3.8.3
6h 20m 17s
Fix GPU memory recorder's memory leak (#5491) Container #2278: Commit 6bff8e3 pushed by mohanchen
43m 19s develop
develop
43m 19s
Feature: make force and stress of sDFT support GPU (#5487) Container #2277: Commit f2e91bd pushed by mohanchen
44m 46s develop
develop
44m 46s
Update esolver_ks_lcao_tddft.h (#5496) Container #2276: Commit 5b1777c pushed by mohanchen
37m 39s develop
develop
37m 39s
Update esolver_ks_lcao.cpp (#5494) Container #2275: Commit d80b5af pushed by YuLiu98
52m 37s develop
develop
52m 37s
Update esolver_ks.h (#5495) Container #2274: Commit 722e922 pushed by YuLiu98
37m 25s develop
develop
37m 25s
Refactor: remove lcao_fun.cpp (#5481) Container #2273: Commit b0503e4 pushed by mohanchen
3h 0m 36s develop
develop
3h 0m 36s
Additional explanations to the example files and fixing result.ref fi… Container #2272: Commit d3aa439 pushed by mohanchen
54m 25s develop
develop
54m 25s
Refactor: move cal_edm_tddft to module_dm (#5485) Container #2271: Commit a95eb5b pushed by mohanchen
1h 4m 3s develop
develop
1h 4m 3s
Fix: compile cuda without openmp (#5488) Container #2270: Commit 8e8cad2 pushed by mohanchen
1h 3m 22s develop
develop
1h 3m 22s
Refactor: move io_npz to ModuleIO (#5475) Container #2269: Commit dcff74d pushed by mohanchen
48m 39s develop
develop
48m 39s
update code format of Exx_LIP (#5473) Container #2268: Commit 3354927 pushed by mohanchen
47m 59s develop
develop
47m 59s
Add gpu recorder (#5471) Container #2267: Commit 890fe37 pushed by mohanchen
2h 7m 45s develop
develop
2h 7m 45s
Fix: let the coverage test pass without checking for its correctness … Container #2266: Commit a2fdb95 pushed by mohanchen
1h 4m 29s develop
develop
1h 4m 29s
Fix the repeated initial guess and use diagonal precondition in LR::H… Container #2265: Commit 4f1be57 pushed by mohanchen
1h 3m 12s develop
develop
1h 3m 12s
Fix: Compiling error for ROCM (#5464) Container #2264: Commit 9718c41 pushed by mohanchen
1h 2m 22s develop
develop
1h 2m 22s
Refactor: remove nscf() (#5455) Container #2263: Commit 9cc7f89 pushed by mohanchen
1h 2m 1s develop
develop
1h 2m 1s
Perf: minor optimization in module_lr (#5435) Container #2262: Commit 2a40059 pushed by mohanchen
1h 3m 55s develop
develop
1h 3m 55s
Toolchain update: use new intel-OneAPI compiler as default (#5458) Container #2261: Commit 05de419 pushed by WHUweiqingzhou
1h 3m 26s develop
develop
1h 3m 26s