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Refactor: consistent order of hpsi (#5134)
Mirror to Gitee Repository #587: Commit c4a324d pushed by mohanchen
September 20, 2024 14:03 34s develop
September 20, 2024 14:03 34s
Refactor:Use PARAM instead of ks_solver,nb2d,search_radius (#5138)
Mirror to Gitee Repository #586: Commit 320b07f pushed by Qianruipku
September 20, 2024 10:04 5m 48s develop
September 20, 2024 10:04 5m 48s
Refator:Use PARAM instead of nspin,cal_stress (#5136)
Mirror to Gitee Repository #585: Commit 00df0e2 pushed by Qianruipku
September 19, 2024 12:07 19m 25s develop
September 19, 2024 12:07 19m 25s
Delley's grid for quadrature on the unit sphere (#5131)
Mirror to Gitee Repository #584: Commit c7349b8 pushed by mohanchen
September 19, 2024 04:03 8m 47s develop
September 19, 2024 04:03 8m 47s
move back Kpoint when basis_type="pw" (#5129)
Mirror to Gitee Repository #583: Commit 20d283b pushed by Qianruipku
September 19, 2024 03:10 32s develop
September 19, 2024 03:10 32s
Refactor&Fix: optimize the memory usage by psi_initializer (#5120)
Mirror to Gitee Repository #582: Commit 7d43917 pushed by dyzheng
September 19, 2024 02:32 26m 33s develop
September 19, 2024 02:32 26m 33s
remove my_conj func from hsolver_lcao (#5128)
Mirror to Gitee Repository #581: Commit 43809b8 pushed by mohanchen
September 18, 2024 12:50 7m 42s develop
September 18, 2024 12:50 7m 42s
Refactor: refactor paw code in HSolverLIP (#5126)
Mirror to Gitee Repository #580: Commit a9e89e4 pushed by mohanchen
September 18, 2024 12:49 3m 6s develop
September 18, 2024 12:49 3m 6s
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Mirror to Gitee Repository #579: by dependabot bot
September 18, 2024 12:45 4m 30s
September 18, 2024 12:45 4m 30s
Build(deps): Bump pre-commit-ci/lite-action from 1.0.2 to 1.0.3 (#5110)
Mirror to Gitee Repository #578: Commit 026a4b5 pushed by mohanchen
September 18, 2024 12:45 8s develop
September 18, 2024 12:45 8s
enlarge threshold (#5117)
Mirror to Gitee Repository #577: Commit 865773f pushed by mohanchen
September 18, 2024 12:44 35s develop
September 18, 2024 12:44 35s
Refactor:Use PARAM instead of GlobalV::domag* (#5115)
Mirror to Gitee Repository #576: Commit 7a2e4a8 pushed by Qianruipku
September 18, 2024 09:25 33s develop
September 18, 2024 09:25 33s
Refactor:Use PARAM instead of deepks* (#5104)
Mirror to Gitee Repository #575: Commit fec3065 pushed by Qianruipku
September 18, 2024 06:49 30s develop
September 18, 2024 06:49 30s
Feature: Add davidson function to pyabacus (#5112)
Mirror to Gitee Repository #574: Commit a29afee pushed by mohanchen
September 17, 2024 06:59 34s develop
September 17, 2024 06:59 34s
Feature: RI-Hartree for LR-TDDFT benchmark with FHI-aims (#5084)
Mirror to Gitee Repository #573: Commit 6424f68 pushed by mohanchen
September 17, 2024 03:11 33s develop
September 17, 2024 03:11 33s
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Mirror to Gitee Repository #571: by dependabot bot
September 16, 2024 00:37 2s
September 16, 2024 00:37 2s
disable out_mul to prohibit segfault error (#5102)
Mirror to Gitee Repository #570: Commit 7fa03ca pushed by mohanchen
September 14, 2024 11:36 7m 35s develop
September 14, 2024 11:36 7m 35s
Refactor: remove hsolver base class from module_hsolver (#5093)
Mirror to Gitee Repository #569: Commit 0339173 pushed by mohanchen
September 14, 2024 11:36 4m 20s develop
September 14, 2024 11:36 4m 20s
Toochain update: new download url and MPICH/OpenMPI version (#5088)
Mirror to Gitee Repository #568: Commit c8c0a10 pushed by mohanchen
September 14, 2024 11:35 35s develop
September 14, 2024 11:35 35s
Refactor:Use PARAM instead of GlobalV::dir* (#5097)
Mirror to Gitee Repository #567: Commit 03c2582 pushed by Qianruipku
September 14, 2024 07:01 32s develop
September 14, 2024 07:01 32s
enlarge threshold to prevent CI test failure (#5096)
Mirror to Gitee Repository #566: Commit 828b926 pushed by mohanchen
September 14, 2024 02:20 7m 44s develop
September 14, 2024 02:20 7m 44s
Refactor: refactor HsolverPW & HsolverPW_SDFT func (#5094)
Mirror to Gitee Repository #565: Commit 7ef0f50 pushed by mohanchen
September 14, 2024 02:19 3m 2s develop
September 14, 2024 02:19 3m 2s
Feature: add new init_chg method with wavefunctions (#5082)
Mirror to Gitee Repository #564: Commit c020e20 pushed by mohanchen
September 14, 2024 02:16 32s develop
September 14, 2024 02:16 32s
Fix : segmentation fault when deepks_scf=0 but deepks_out_labels=1 (#…
Mirror to Gitee Repository #563: Commit 548ac3c pushed by mohanchen
September 13, 2024 02:17 2m 50s develop
September 13, 2024 02:17 2m 50s