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601 workflow run results
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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
Refactor: before_scf of esolver_fp (#5943) Doxygen Documentation Deployment #819: Commit 53d83b2 pushed by mohanchen
29m 57s develop
develop
29m 57s
Delete conv_esolver in esolver, and add 'conv_esolver' as a parameter… Doxygen Documentation Deployment #818: Commit 83f966a pushed by mohanchen
4m 55s develop
develop
4m 55s
Remove pre-commit bot (#5942) Doxygen Documentation Deployment #817: Commit 1fa5e3a pushed by mohanchen
3m 56s develop
develop
3m 56s
add openmp support to calculate_hr (#5937) Doxygen Documentation Deployment #816: Commit 34db426 pushed by mohanchen
4m 8s develop
develop
4m 8s
v3.9.0.1 (#5936) Doxygen Documentation Deployment #815: Commit d2d919b pushed by Qianruipku
3m 57s develop
develop
3m 57s
[Refactor] Remove all ctx in math_kernel_op (#5934) Doxygen Documentation Deployment #814: Commit 2c47138 pushed by mohanchen
45m 42s develop
develop
45m 42s
First stage of add DSP FFT (#5878) Doxygen Documentation Deployment #813: Commit 8fa625c pushed by mohanchen
1m 14s develop
develop
1m 14s
Perf: optimize deepks functions cal_f_delta and cal_pdm (#5933) Doxygen Documentation Deployment #812: Commit bcca5b3 pushed by mohanchen
11m 14s develop
develop
11m 14s
Performance: Add CUDA Aware MPI (#5930) Doxygen Documentation Deployment #811: Commit 9448ba9 pushed by Qianruipku
3m 58s develop
develop
3m 58s
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