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devcontainer.yml
385 workflow run results
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Update timer, only print out those timers that consume more than 1% o… Container #2549: Commit 37620aa pushed by mohanchen
42m 39s develop
develop
42m 39s
Refactor: decrease memory cost of get_s (#5979) Container #2548: Commit 5d97dd8 pushed by mohanchen
1h 2m 23s develop
develop
1h 2m 23s
Fix: results not stable when using CUDA AWare MPI (#5976) Container #2547: Commit f1bfe91 pushed by mohanchen
1h 24m 13s develop
develop
1h 24m 13s
Fix #5969: First copy then output in the right order in ks_pw (#5974) Container #2546: Commit 648501d pushed by mohanchen
42m 36s develop
develop
42m 36s
Some small updates for the format (#5972) Container #2545: Commit 2505d4f pushed by YuLiu98
2h 26m 11s develop
develop
2h 26m 11s
Refactor: in ESolver_KS_PW, calculate deband in iter_finish, not in h… Container #2544: Commit 4f72eb8 pushed by mohanchen
2h 17m 28s develop
develop
2h 17m 28s
Fix a LaTeX rendering issue related to RT-TDDFT parameters in online … Container #2543: Commit 0b77de9 pushed by mohanchen
4h 41m 49s develop
develop
4h 41m 49s
Fix segmentation fault in integrate test 312_NO_GO_wfc_get_wf (#5970) Container #2542: Commit c7ec092 pushed by mohanchen
3h 54m 33s develop
develop
3h 54m 33s
perf the compute of check_atom_stru and add openmp (#5962) Container #2541: Commit e93d3a7 pushed by mohanchen
3h 5m 48s develop
develop
3h 5m 48s
Feature: Add HR output label for DeePKS. (#5968) Container #2540: Commit c8204a8 pushed by ErjieWu
1h 44m 27s develop
develop
1h 44m 27s
Performance: Optimize para_gemm and para_linear_transform (#5967) Container #2539: Commit 3b59b29 pushed by Qianruipku
42m 36s develop
develop
42m 36s
modify doc (#5965) Container #2538: Commit f1508aa pushed by mohanchen
4h 15m 29s develop
develop
4h 15m 29s
inline function of complexarray (#5964) Container #2537: Commit 0547609 pushed by mohanchen
2h 37m 27s develop
develop
2h 37m 27s
Update ESolver, delete pelec->charge, instead using chr defined in ES… Container #2536: Commit 76751ea pushed by mohanchen
1h 55m 24s develop
develop
1h 55m 24s
Refactor: Remove GlobalV in DeePKS and simplify some functions. (#5952) Container #2535: Commit 0aba423 pushed by mohanchen
54m 32s develop
develop
54m 32s
Fix RT-TDDFT current calculation crash using >20 MPI processes (#5959) Container #2534: Commit 6b928c9 pushed by mohanchen
43m 51s develop
develop
43m 51s
Update after_scf in ESolver (#5957) Container #2533: Commit 071e8c3 pushed by Qianruipku
1h 17m 26s develop
develop
1h 17m 26s
Perf: openmp for cal_force_stress (#5956) Container #2532: Commit 7f9dc96 pushed by mohanchen
44m 35s develop
develop
44m 35s
Feature: support the default as the value of dft_functional when … Container #2531: Commit 2825851 pushed by mohanchen
53m 21s develop
develop
53m 21s
Refactor:Modify the output functions in elecstate. (#5954) Container #2530: Commit b3bc912 pushed by mohanchen
13m 54s develop
develop
13m 54s
Refactor: remove useless head files (#5945) Container #2529: Commit 70b7f58 pushed by Qianruipku
41m 11s develop
develop
41m 11s
Refactor: before_scf of esolver_fp (#5943) Container #2528: Commit 53d83b2 pushed by mohanchen
46m 44s develop
develop
46m 44s
Delete conv_esolver in esolver, and add 'conv_esolver' as a parameter… Container #2527: Commit 83f966a pushed by mohanchen
42m 13s develop
develop
42m 13s
Remove pre-commit bot (#5942) Container #2526: Commit 1fa5e3a pushed by mohanchen
40m 31s develop
develop
40m 31s
add openmp support to calculate_hr (#5937) Container #2525: Commit 34db426 pushed by mohanchen
40m 27s develop
develop
40m 27s