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Fix: Fix Consts memory leak by directly removing custome consts (#5344)
Doxygen Documentation Deployment #507: Commit 5a774bf pushed by mohanchen
October 24, 2024 14:10 4m 53s develop
October 24, 2024 14:10 4m 53s
Fix: do not bcast my_rank (#5339)
Doxygen Documentation Deployment #506: Commit d7150d0 pushed by Qianruipku
October 24, 2024 09:39 53m 19s develop
October 24, 2024 09:39 53m 19s
Feature: Add Cell for pyabacus (#5247)
Doxygen Documentation Deployment #505: Commit 1b3f76e pushed by mohanchen
October 24, 2024 05:15 17m 44s develop
October 24, 2024 05:15 17m 44s
Remove install_dsp.sh (#5337)
Doxygen Documentation Deployment #504: Commit 2dc9803 pushed by mohanchen
October 24, 2024 05:15 18s develop
October 24, 2024 05:15 18s
Remove diagh.h in module_hsolver (#5332)
Doxygen Documentation Deployment #503: Commit 4ded80e pushed by mohanchen
October 23, 2024 17:42 1h 38m 1s develop
October 23, 2024 17:42 1h 38m 1s
Fix: remove useless scc in davidson to boost algorithm (#4874)
Doxygen Documentation Deployment #502: Commit bab929f pushed by mohanchen
October 23, 2024 17:42 28s develop
October 23, 2024 17:42 28s
change the position of omp (#5327)
Doxygen Documentation Deployment #501: Commit f0a0c18 pushed by mohanchen
October 23, 2024 17:41 59s develop
October 23, 2024 17:41 59s
change the gamma_only_lcao when nspin=4 (#5322)
Doxygen Documentation Deployment #500: Commit 55c5afb pushed by mohanchen
October 23, 2024 17:40 31s develop
October 23, 2024 17:40 31s
Feature: Porting abacus to DSP hardware (mtblas part) (#5301)
Doxygen Documentation Deployment #499: Commit f039250 pushed by mohanchen
October 23, 2024 17:40 45s develop
October 23, 2024 17:40 45s
Fix: PR conflicts (#5329)
Doxygen Documentation Deployment #498: Commit 2af2095 pushed by mohanchen
October 23, 2024 13:33 23m 10s develop
October 23, 2024 13:33 23m 10s
Remove DiagH class in hsolver (#5307)
Doxygen Documentation Deployment #497: Commit 5a6f494 pushed by mohanchen
October 23, 2024 04:47 2h 30m 50s develop
October 23, 2024 04:47 2h 30m 50s
Refactor: replace sto_hchi by HamiltSdftPW::hPsi (#5298)
Doxygen Documentation Deployment #496: Commit 7194eb7 pushed by mohanchen
October 23, 2024 04:46 1m 17s develop
October 23, 2024 04:46 1m 17s
Feature: LR-TDDFT for open-shell systems (#5312)
Doxygen Documentation Deployment #495: Commit 0bac03f pushed by mohanchen
October 23, 2024 04:45 1m 39s develop
October 23, 2024 04:45 1m 39s
Add number of threads output in stdout (#5281)
Doxygen Documentation Deployment #494: Commit 3203ec6 pushed by mohanchen
October 23, 2024 04:44 33s develop
October 23, 2024 04:44 33s
remove read_rho and make read_cube independent of esolver_type (#5323)
Doxygen Documentation Deployment #493: Commit efb83c8 pushed by YuLiu98
October 22, 2024 09:57 18m 21s develop
October 22, 2024 09:57 18m 21s
doc: fix typo in kpt.md (#5320)
Doxygen Documentation Deployment #492: Commit 8a02642 pushed by mohanchen
October 22, 2024 09:50 6m 57s develop
October 22, 2024 09:50 6m 57s
fix nspin=4 error (#5319)
Doxygen Documentation Deployment #491: Commit 6632c0b pushed by mohanchen
October 22, 2024 09:49 33s develop
October 22, 2024 09:49 33s
Fix: makefile cannot compile without openmp (#5316)
Doxygen Documentation Deployment #490: Commit 3eac0e2 pushed by mohanchen
October 22, 2024 09:48 1m 0s develop
October 22, 2024 09:48 1m 0s
Update version.h (#5314)
Doxygen Documentation Deployment #489: Commit 146a509 pushed by WHUweiqingzhou
October 21, 2024 08:41 3m 41s develop
October 21, 2024 08:41 3m 41s
Refactor XC_Functional_Libxc::convert_vtxc_v() (#5212)
Doxygen Documentation Deployment #488: Commit 39c29d3 pushed by mohanchen
October 18, 2024 12:13 15m 22s develop
October 18, 2024 12:13 15m 22s
set two_fermi to false for nspin == 1 and add extra checks (#5305)
Doxygen Documentation Deployment #487: Commit 5ccb292 pushed by mohanchen
October 18, 2024 12:08 5m 29s develop
October 18, 2024 12:08 5m 29s
remove nspin dependence form Gint (#5304)
Doxygen Documentation Deployment #486: Commit 7fdb1a3 pushed by mohanchen
October 18, 2024 12:07 44s develop
October 18, 2024 12:07 44s
Fix a segfault in rhog_symmetry (#5303)
Doxygen Documentation Deployment #485: Commit f636d74 pushed by mohanchen
October 18, 2024 12:05 2m 20s develop
October 18, 2024 12:05 2m 20s
Sorting out the calculation logic of pexsi in hsolver-lcao (#5299)
Doxygen Documentation Deployment #484: Commit 255e104 pushed by mohanchen
October 18, 2024 12:04 1m 6s develop
October 18, 2024 12:04 1m 6s
Becke's partition for multi-center grid integration (#5292)
Doxygen Documentation Deployment #483: Commit 7cb7664 pushed by mohanchen
October 18, 2024 12:02 1m 31s develop
October 18, 2024 12:02 1m 31s