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fix bad compile options (#5014) Container #2061: Commit a582874 pushed by mohanchen
August 29, 2024 07:48 22m 38s develop
develop
August 29, 2024 07:48 22m 38s
Fix: bug in charge extrapolation (#5007) Container #2060: Commit 93badfa pushed by mohanchen
August 28, 2024 02:18 31m 18s develop
develop
August 28, 2024 02:18 31m 18s
Feature: support automatic binary output of charge density (#4991) Container #2059: Commit bdc21c2 pushed by mohanchen
August 28, 2024 02:17 22m 40s develop
develop
August 28, 2024 02:17 22m 40s
fix ENABLE_CNPY link errors (#5003) Container #2058: Commit 618f063 pushed by mohanchen
August 27, 2024 07:54 22m 34s develop
develop
August 27, 2024 07:54 22m 34s
update version (#5001) Container #2057: Commit 0324167 pushed by pxlxingliang
August 26, 2024 05:04 41m 7s v3.7.4
v3.7.4
August 26, 2024 05:04 41m 7s
update version (#5001) Container #2056: Commit 0324167 pushed by pxlxingliang
August 26, 2024 05:02 36m 53s develop
develop
August 26, 2024 05:02 36m 53s
fix compile warning (#4996) Container #2055: Commit c61a66e pushed by mohanchen
August 24, 2024 12:00 44m 0s develop
develop
August 24, 2024 12:00 44m 0s
Fix: enable scf_ene_thr for EXX outer loop (#4993) Container #2054: Commit f2a0b09 pushed by mohanchen
August 24, 2024 11:59 42m 37s develop
develop
August 24, 2024 11:59 42m 37s
Feature: output T(k) (#4982) Container #2053: Commit 2890890 pushed by mohanchen
August 24, 2024 11:59 51m 24s develop
develop
August 24, 2024 11:59 51m 24s
add elpa gpu in docker cuda image (#4980) Container #2052: Commit 75b5cf7 pushed by mohanchen
August 24, 2024 11:58 41m 32s develop
develop
August 24, 2024 11:58 41m 32s
Performance: heterogeneous operator of npw loop in force_cc. (#4978) Container #2051: Commit a805b73 pushed by mohanchen
August 24, 2024 11:57 27m 13s develop
develop
August 24, 2024 11:57 27m 13s
do not always output HexxR but only for NSCF (#4994) Container #2050: Commit b5bc271 pushed by mohanchen
August 23, 2024 12:59 22m 26s develop
develop
August 23, 2024 12:59 22m 26s
Fix: Fix the I/O problem of Rappe pseudopotential caused by the chang… Container #2049: Commit f7fc6d0 pushed by mohanchen
August 21, 2024 03:55 33m 47s develop
develop
August 21, 2024 03:55 33m 47s
Refactor: remove template<class T> in Chebyshev (#4972) Container #2048: Commit ffdc617 pushed by mohanchen
August 17, 2024 11:46 40m 58s develop
develop
August 17, 2024 11:46 40m 58s
Feature: Add diago_dav_subspace module to pyabacus (#4883) Container #2047: Commit d0b25ea pushed by mohanchen
August 16, 2024 01:20 32m 11s develop
develop
August 16, 2024 01:20 32m 11s
Feature: support control on precison of charge cube output (#4958) Container #2046: Commit 3d44f1f pushed by mohanchen
August 16, 2024 01:13 31m 20s develop
develop
August 16, 2024 01:13 31m 20s
Toolchain : libcomm version update (#4966) Container #2045: Commit 3751dc4 pushed by mohanchen
August 16, 2024 01:12 22m 32s develop
develop
August 16, 2024 01:12 22m 32s
fix bug in catching properties for out_eband_terms (#4962) Container #2044: Commit 53afa6a pushed by mohanchen
August 15, 2024 09:21 31m 47s develop
develop
August 15, 2024 09:21 31m 47s
Feature: update LibRI v0.2.0 (#4830) Container #2043: Commit d093c58 pushed by mohanchen
August 15, 2024 09:20 22m 21s develop
develop
August 15, 2024 09:20 22m 21s
Refactor: Remove the inheritance relationship between hsolverLCAO/hso… Container #2042: Commit 3c9ceb4 pushed by mohanchen
August 14, 2024 13:44 22m 29s develop
develop
August 14, 2024 13:44 22m 29s
Refactor: update charge extra to accelerate md (#4954) Container #2041: Commit 844e0e0 pushed by YuLiu98
August 13, 2024 12:41 22m 24s develop
develop
August 13, 2024 12:41 22m 24s
fix an EXX bug with out_mat_hs2 (#4956) Container #2040: Commit 74f1cc9 pushed by mohanchen
August 13, 2024 08:48 23m 7s develop
develop
August 13, 2024 08:48 23m 7s
Refactor: Remove Dependency on Custom Class const_nums in david (#4950) Container #2039: Commit a15a6f6 pushed by mohanchen
August 12, 2024 14:18 31m 53s develop
develop
August 12, 2024 14:18 31m 53s
Refactor: reset_diag_ethr && cal_hsolve_error func in hsolver (#4… Container #2038: Commit 563eca1 pushed by mohanchen
August 12, 2024 14:17 22m 23s develop
develop
August 12, 2024 14:17 22m 23s
Refactor: rescale vel to temperature when read in vel (#4953) Container #2037: Commit df695ad pushed by YuLiu98
August 12, 2024 11:34 22m 15s develop
develop
August 12, 2024 11:34 22m 15s