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[Refactor] Remove my_math.hpp (#6002) Container #2558: Commit c93cd1a pushed by mohanchen
1h 5m 30s develop
develop
1h 5m 30s
v3.9.0.2 (#6007) Container #2557: Commit 0d9f762 pushed by mohanchen
39m 53s develop
develop
39m 53s
Doc: polish Quick Start part of online doc (#6006) Container #2556: Commit 586a02b pushed by dyzheng
39m 34s develop
develop
39m 34s
test: correct INPUT of examples/spin_polarized/ATOM (#5998) Container #2555: Commit 992f39e pushed by mohanchen
44m 48s develop
develop
44m 48s
Fix: One segmentation fault related to EXX PW (#5993) Container #2554: Commit f93b3a9 pushed by mohanchen
1h 5m 21s develop
develop
1h 5m 21s
Refactor: move psi init to before_all_runners (#5992) Container #2553: Commit f3c6cfc pushed by mohanchen
1h 24m 41s develop
develop
1h 24m 41s
Feature: Hybrid functionals for planewave basis (#5940) Container #2552: Commit 33d0b4f pushed by mohanchen
48m 35s develop
develop
48m 35s
Refactor:Modify Weights and Ebands Functions in the elecstate Module … Container #2551: Commit 5ed2b2a pushed by mohanchen
42m 23s develop
develop
42m 23s
Update some formats in LCAO_operator and ESolver (#5987) Container #2550: Commit 3950276 pushed by YuLiu98
42m 31s develop
develop
42m 31s
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