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Refactor: move print_rhofft and print_wfcfft to ModuleIO (#5358) Mirror to Gitee Repository #709: Commit fe3b44f pushed by mohanchen
1h 17m 23s develop
develop
1h 17m 23s
Feature: make SCF converges only if drho and dene is smaller than thr… Mirror to Gitee Repository #708: Commit 821b184 pushed by mohanchen
16m 51s develop
develop
16m 51s
fix the symmetry condition in rpa (#5355) Mirror to Gitee Repository #707: Commit f33650f pushed by mohanchen
29m 26s develop
develop
29m 26s
fix build scripts (#5350) Mirror to Gitee Repository #706: Commit 7a29e2f pushed by mohanchen
36m 19s develop
develop
36m 19s
Change the default setting for symmetry when berry_phase=1 (#5349) Mirror to Gitee Repository #705: Commit 066dfbb pushed by mohanchen
1m 4s develop
develop
1m 4s
Feature: MPI available on ABACUS DSP version (#5351) Mirror to Gitee Repository #704: Commit 72d9d1d pushed by mohanchen
22m 59s develop
develop
22m 59s
Refactor: Organize code structure to improve maintainability in pyaba… Mirror to Gitee Repository #703: Commit 729059f pushed by mohanchen
3m 7s develop
develop
3m 7s
fix exxsym (#5348) Mirror to Gitee Repository #702: Commit e4044a4 pushed by mohanchen
33s develop
develop
33s
Fix: Fix Consts memory leak by directly removing custome consts (#5344) Mirror to Gitee Repository #701: Commit 5a774bf pushed by mohanchen
1m 16s develop
develop
1m 16s
Fix: do not bcast my_rank (#5339) Mirror to Gitee Repository #700: Commit d7150d0 pushed by Qianruipku
49m 36s develop
develop
49m 36s
Feature: Add Cell for pyabacus (#5247) Mirror to Gitee Repository #699: Commit 1b3f76e pushed by mohanchen
21m 8s develop
develop
21m 8s
Remove install_dsp.sh (#5337) Mirror to Gitee Repository #698: Commit 2dc9803 pushed by mohanchen
6m 0s develop
develop
6m 0s
Remove diagh.h in module_hsolver (#5332) Mirror to Gitee Repository #697: Commit 4ded80e pushed by mohanchen
1h 35m 1s develop
develop
1h 35m 1s
Fix: remove useless scc in davidson to boost algorithm (#4874) Mirror to Gitee Repository #696: Commit bab929f pushed by mohanchen
27s develop
develop
27s
change the position of omp (#5327) Mirror to Gitee Repository #695: Commit f0a0c18 pushed by mohanchen
57s develop
develop
57s
change the gamma_only_lcao when nspin=4 (#5322) Mirror to Gitee Repository #694: Commit 55c5afb pushed by mohanchen
30s develop
develop
30s
Feature: Porting abacus to DSP hardware (mtblas part) (#5301) Mirror to Gitee Repository #693: Commit f039250 pushed by mohanchen
53m 41s develop
develop
53m 41s
Fix: PR conflicts (#5329) Mirror to Gitee Repository #692: Commit 2af2095 pushed by mohanchen
19m 48s develop
develop
19m 48s
Remove DiagH class in hsolver (#5307) Mirror to Gitee Repository #691: Commit 5a6f494 pushed by mohanchen
2h 58m 32s develop
develop
2h 58m 32s
Refactor: replace sto_hchi by HamiltSdftPW::hPsi (#5298) Mirror to Gitee Repository #690: Commit 7194eb7 pushed by mohanchen
1m 17s develop
develop
1m 17s
Feature: LR-TDDFT for open-shell systems (#5312) Mirror to Gitee Repository #689: Commit 0bac03f pushed by mohanchen
1m 38s develop
develop
1m 38s
Add number of threads output in stdout (#5281) Mirror to Gitee Repository #688: Commit 3203ec6 pushed by mohanchen
1h 34m 20s develop
develop
1h 34m 20s
remove read_rho and make read_cube independent of esolver_type (#5323) Mirror to Gitee Repository #687: Commit efb83c8 pushed by YuLiu98
15m 43s develop
develop
15m 43s
doc: fix typo in kpt.md (#5320) Mirror to Gitee Repository #686: Commit 8a02642 pushed by mohanchen
7m 25s develop
develop
7m 25s
fix nspin=4 error (#5319) Mirror to Gitee Repository #685: Commit 6632c0b pushed by mohanchen
4m 23s develop
develop
4m 23s