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Performance: heterogeneous operator of npw loop in force_cc. (#4978) Doxygen Documentation Deployment #356: Commit a805b73 pushed by mohanchen
August 24, 2024 11:57 54s develop
develop
August 24, 2024 11:57 54s
do not always output HexxR but only for NSCF (#4994) Doxygen Documentation Deployment #355: Commit b5bc271 pushed by mohanchen
August 23, 2024 12:59 3m 29s develop
develop
August 23, 2024 12:59 3m 29s
Fix: Fix the I/O problem of Rappe pseudopotential caused by the chang… Doxygen Documentation Deployment #354: Commit f7fc6d0 pushed by mohanchen
August 21, 2024 03:55 35m 21s develop
develop
August 21, 2024 03:55 35m 21s
Refactor: remove template<class T> in Chebyshev (#4972) Doxygen Documentation Deployment #353: Commit ffdc617 pushed by mohanchen
August 17, 2024 11:46 3m 24s develop
develop
August 17, 2024 11:46 3m 24s
Feature: Add diago_dav_subspace module to pyabacus (#4883) Doxygen Documentation Deployment #352: Commit d0b25ea pushed by mohanchen
August 16, 2024 01:20 3m 47s develop
develop
August 16, 2024 01:20 3m 47s
Feature: support control on precison of charge cube output (#4958) Doxygen Documentation Deployment #351: Commit 3d44f1f pushed by mohanchen
August 16, 2024 01:13 7m 28s develop
develop
August 16, 2024 01:13 7m 28s
Toolchain : libcomm version update (#4966) Doxygen Documentation Deployment #350: Commit 3751dc4 pushed by mohanchen
August 16, 2024 01:12 1m 38s develop
develop
August 16, 2024 01:12 1m 38s
fix bug in catching properties for out_eband_terms (#4962) Doxygen Documentation Deployment #349: Commit 53afa6a pushed by mohanchen
August 15, 2024 09:21 7m 25s develop
develop
August 15, 2024 09:21 7m 25s
Feature: update LibRI v0.2.0 (#4830) Doxygen Documentation Deployment #348: Commit d093c58 pushed by mohanchen
August 15, 2024 09:20 1m 11s develop
develop
August 15, 2024 09:20 1m 11s
Refactor: Remove the inheritance relationship between hsolverLCAO/hso… Doxygen Documentation Deployment #347: Commit 3c9ceb4 pushed by mohanchen
August 14, 2024 13:44 3m 30s develop
develop
August 14, 2024 13:44 3m 30s
Refactor: update charge extra to accelerate md (#4954) Doxygen Documentation Deployment #346: Commit 844e0e0 pushed by YuLiu98
August 13, 2024 12:41 3m 54s develop
develop
August 13, 2024 12:41 3m 54s
fix an EXX bug with out_mat_hs2 (#4956) Doxygen Documentation Deployment #345: Commit 74f1cc9 pushed by mohanchen
August 13, 2024 08:48 3m 37s develop
develop
August 13, 2024 08:48 3m 37s
Refactor: Remove Dependency on Custom Class const_nums in david (#4950) Doxygen Documentation Deployment #344: Commit a15a6f6 pushed by mohanchen
August 12, 2024 14:18 23m 55s develop
develop
August 12, 2024 14:18 23m 55s
Refactor: reset_diag_ethr && cal_hsolve_error func in hsolver (#4… Doxygen Documentation Deployment #343: Commit 563eca1 pushed by mohanchen
August 12, 2024 14:17 47s develop
develop
August 12, 2024 14:17 47s
Refactor: rescale vel to temperature when read in vel (#4953) Doxygen Documentation Deployment #342: Commit df695ad pushed by YuLiu98
August 12, 2024 11:34 3m 29s develop
develop
August 12, 2024 11:34 3m 29s
Update version.h (#4930) Doxygen Documentation Deployment #341: Commit 1ddf8e2 pushed by kirk0830
August 12, 2024 07:11 8m 11s develop
develop
August 12, 2024 07:11 8m 11s
Toolchain 202402 (#4945) Doxygen Documentation Deployment #340: Commit eaf27f8 pushed by kirk0830
August 12, 2024 07:08 2m 34s develop
develop
August 12, 2024 07:08 2m 34s
Fix: improve the experience of using molden.py postprocessing tool … Doxygen Documentation Deployment #339: Commit e614606 pushed by mohanchen
August 12, 2024 07:01 3m 31s develop
develop
August 12, 2024 07:01 3m 31s
optimize HexxR reading (#4952) Doxygen Documentation Deployment #338: Commit 3a3d535 pushed by mohanchen
August 12, 2024 05:28 3m 25s develop
develop
August 12, 2024 05:28 3m 25s
fix a possible bug when dir is auto (#4948) Doxygen Documentation Deployment #337: Commit b71534f pushed by mohanchen
August 11, 2024 13:39 3m 53s develop
develop
August 11, 2024 13:39 3m 53s
Refactor: change hsolver-lcao call manner in SpinConstrain (#4946) Doxygen Documentation Deployment #336: Commit b1b03fe pushed by mohanchen
August 11, 2024 13:33 5m 51s develop
develop
August 11, 2024 13:33 5m 51s
Refactor: Make Hsolver_sdft a local variable in hamilt_to_density fun… Doxygen Documentation Deployment #335: Commit b7ffff7 pushed by mohanchen
August 11, 2024 13:30 3m 1s develop
develop
August 11, 2024 13:30 3m 1s
Tools: support molden file generation via NAO2GTO (#4937) Doxygen Documentation Deployment #334: Commit 111073b pushed by mohanchen
August 9, 2024 13:39 7m 41s develop
develop
August 9, 2024 13:39 7m 41s
Fix the issue of some timer instances not being closed, resulting i… Doxygen Documentation Deployment #333: Commit 6321891 pushed by mohanchen
August 9, 2024 13:38 1m 22s develop
develop
August 9, 2024 13:38 1m 22s
Fix: delete the unexpected debug info during scf (#4936) Doxygen Documentation Deployment #332: Commit 0b247f3 pushed by mohanchen
August 9, 2024 09:53 3m 30s develop
develop
August 9, 2024 09:53 3m 30s
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