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463 workflow run results
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Refactor: move psi init to before_all_runners (#5992) Doxygen Documentation Deployment #844: Commit f3c6cfc pushed by mohanchen
4m 10s develop
develop
4m 10s
Feature: Hybrid functionals for planewave basis (#5940) Doxygen Documentation Deployment #843: Commit 33d0b4f pushed by mohanchen
4m 3s develop
develop
4m 3s
Refactor:Modify Weights and Ebands Functions in the elecstate Module … Doxygen Documentation Deployment #842: Commit 5ed2b2a pushed by mohanchen
4m 13s develop
develop
4m 13s
Update some formats in LCAO_operator and ESolver (#5987) Doxygen Documentation Deployment #841: Commit 3950276 pushed by YuLiu98
5m 0s develop
develop
5m 0s
Update timer, only print out those timers that consume more than 1% o… Doxygen Documentation Deployment #840: Commit 37620aa pushed by mohanchen
4m 0s develop
develop
4m 0s
Refactor: decrease memory cost of get_s (#5979) Doxygen Documentation Deployment #839: Commit 5d97dd8 pushed by mohanchen
4m 3s develop
develop
4m 3s
Fix: results not stable when using CUDA AWare MPI (#5976) Doxygen Documentation Deployment #838: Commit f1bfe91 pushed by mohanchen
8m 31s develop
develop
8m 31s
Fix #5969: First copy then output in the right order in ks_pw (#5974) Doxygen Documentation Deployment #837: Commit 648501d pushed by mohanchen
54s develop
develop
54s
Some small updates for the format (#5972) Doxygen Documentation Deployment #836: Commit 2505d4f pushed by YuLiu98
4m 3s develop
develop
4m 3s
Refactor: in ESolver_KS_PW, calculate deband in iter_finish, not in h… Doxygen Documentation Deployment #835: Commit 4f72eb8 pushed by mohanchen
4m 3s develop
develop
4m 3s
Fix a LaTeX rendering issue related to RT-TDDFT parameters in online … Doxygen Documentation Deployment #834: Commit 0b77de9 pushed by mohanchen
6m 58s develop
develop
6m 58s
Fix segmentation fault in integrate test 312_NO_GO_wfc_get_wf (#5970) Doxygen Documentation Deployment #833: Commit c7ec092 pushed by mohanchen
1m 1s develop
develop
1m 1s
perf the compute of check_atom_stru and add openmp (#5962) Doxygen Documentation Deployment #832: Commit e93d3a7 pushed by mohanchen
1m 8s develop
develop
1m 8s
Feature: Add HR output label for DeePKS. (#5968) Doxygen Documentation Deployment #831: Commit c8204a8 pushed by ErjieWu
3m 49s develop
develop
3m 49s
Performance: Optimize para_gemm and para_linear_transform (#5967) Doxygen Documentation Deployment #830: Commit 3b59b29 pushed by Qianruipku
4m 57s develop
develop
4m 57s
modify doc (#5965) Doxygen Documentation Deployment #829: Commit f1508aa pushed by mohanchen
9m 23s develop
develop
9m 23s
inline function of complexarray (#5964) Doxygen Documentation Deployment #828: Commit 0547609 pushed by mohanchen
20s develop
develop
20s
Update ESolver, delete pelec->charge, instead using chr defined in ES… Doxygen Documentation Deployment #827: Commit 76751ea pushed by mohanchen
29s develop
develop
29s
Refactor: Remove GlobalV in DeePKS and simplify some functions. (#5952) Doxygen Documentation Deployment #826: Commit 0aba423 pushed by mohanchen
11m 28s develop
develop
11m 28s
Fix RT-TDDFT current calculation crash using >20 MPI processes (#5959) Doxygen Documentation Deployment #825: Commit 6b928c9 pushed by mohanchen
1m 57s develop
develop
1m 57s
Update after_scf in ESolver (#5957) Doxygen Documentation Deployment #824: Commit 071e8c3 pushed by Qianruipku
3m 51s develop
develop
3m 51s
Perf: openmp for cal_force_stress (#5956) Doxygen Documentation Deployment #823: Commit 7f9dc96 pushed by mohanchen
4m 6s develop
develop
4m 6s
Feature: support the default as the value of dft_functional when … Doxygen Documentation Deployment #822: Commit 2825851 pushed by mohanchen
4m 51s develop
develop
4m 51s
Refactor:Modify the output functions in elecstate. (#5954) Doxygen Documentation Deployment #821: Commit b3bc912 pushed by mohanchen
2m 12s develop
develop
2m 12s
Refactor: remove useless head files (#5945) Doxygen Documentation Deployment #820: Commit 70b7f58 pushed by Qianruipku
15m 23s develop
develop
15m 23s