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devcontainer.yml
262 workflow run results
262 workflow run results

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Refactor: move print_rhofft and print_wfcfft to ModuleIO (#5358) Container #2215: Commit fe3b44f pushed by mohanchen
52m 1s develop
develop
52m 1s
Feature: make SCF converges only if drho and dene is smaller than thr… Container #2214: Commit 821b184 pushed by mohanchen
1h 2m 55s develop
develop
1h 2m 55s
fix the symmetry condition in rpa (#5355) Container #2213: Commit f33650f pushed by mohanchen
47m 18s develop
develop
47m 18s
fix build scripts (#5350) Container #2212: Commit 7a29e2f pushed by mohanchen
53m 11s develop
develop
53m 11s
Change the default setting for symmetry when berry_phase=1 (#5349) Container #2211: Commit 066dfbb pushed by mohanchen
52m 24s develop
develop
52m 24s
Feature: MPI available on ABACUS DSP version (#5351) Container #2210: Commit 72d9d1d pushed by mohanchen
37m 20s develop
develop
37m 20s
Refactor: Organize code structure to improve maintainability in pyaba… Container #2209: Commit 729059f pushed by mohanchen
51m 13s develop
develop
51m 13s
fix exxsym (#5348) Container #2208: Commit e4044a4 pushed by mohanchen
37m 33s develop
develop
37m 33s
Fix: Fix Consts memory leak by directly removing custome consts (#5344) Container #2207: Commit 5a774bf pushed by mohanchen
48m 15s develop
develop
48m 15s
Fix: do not bcast my_rank (#5339) Container #2206: Commit d7150d0 pushed by Qianruipku
37m 44s develop
develop
37m 44s
Feature: Add Cell for pyabacus (#5247) Container #2205: Commit 1b3f76e pushed by mohanchen
39m 22s develop
develop
39m 22s
Remove install_dsp.sh (#5337) Container #2204: Commit 2dc9803 pushed by mohanchen
37m 44s develop
develop
37m 44s
Remove diagh.h in module_hsolver (#5332) Container #2203: Commit 4ded80e pushed by mohanchen
56m 27s develop
develop
56m 27s
Fix: remove useless scc in davidson to boost algorithm (#4874) Container #2202: Commit bab929f pushed by mohanchen
54m 59s develop
develop
54m 59s
change the position of omp (#5327) Container #2201: Commit f0a0c18 pushed by mohanchen
54m 4s develop
develop
54m 4s
change the gamma_only_lcao when nspin=4 (#5322) Container #2200: Commit 55c5afb pushed by mohanchen
52m 40s develop
develop
52m 40s
Feature: Porting abacus to DSP hardware (mtblas part) (#5301) Container #2199: Commit f039250 pushed by mohanchen
37m 19s develop
develop
37m 19s
Fix: PR conflicts (#5329) Container #2198: Commit 2af2095 pushed by mohanchen
37m 56s develop
develop
37m 56s
Remove DiagH class in hsolver (#5307) Container #2197: Commit 5a6f494 pushed by mohanchen
1h 12m 20s develop
develop
1h 12m 20s
Refactor: replace sto_hchi by HamiltSdftPW::hPsi (#5298) Container #2196: Commit 7194eb7 pushed by mohanchen
1h 4m 55s develop
develop
1h 4m 55s
Feature: LR-TDDFT for open-shell systems (#5312) Container #2195: Commit 0bac03f pushed by mohanchen
57m 52s develop
develop
57m 52s
Add number of threads output in stdout (#5281) Container #2194: Commit 3203ec6 pushed by mohanchen
49m 32s develop
develop
49m 32s
remove read_rho and make read_cube independent of esolver_type (#5323) Container #2193: Commit efb83c8 pushed by YuLiu98
1h 44m 7s develop
develop
1h 44m 7s
doc: fix typo in kpt.md (#5320) Container #2192: Commit 8a02642 pushed by mohanchen
1h 12m 55s develop
develop
1h 12m 55s
fix nspin=4 error (#5319) Container #2191: Commit 6632c0b pushed by mohanchen
1h 11m 34s develop
develop
1h 11m 34s