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Fix: support lmax of orbital 8,9 (#5528) Container #2303: Commit 0ecfbc4 pushed by mohanchen
November 20, 2024 05:41 36m 59s develop
develop
November 20, 2024 05:41 36m 59s
Refactor: refactor psi init & wfinit class (#5533) Container #2302: Commit 2649152 pushed by mohanchen
November 20, 2024 00:53 36m 51s develop
develop
November 20, 2024 00:53 36m 51s
Refactor: merge before_all_runners of tddft and lcao (#5531) Container #2301: Commit 8b98a20 pushed by mohanchen
November 19, 2024 14:20 4h 10m 41s develop
develop
November 19, 2024 14:20 4h 10m 41s
Fix: set zero for unused psi data for nspin4 (#5524) Container #2300: Commit 8040017 pushed by mohanchen
November 19, 2024 08:52 3h 2m 35s develop
develop
November 19, 2024 08:52 3h 2m 35s
Fix: fix the stoi failure for output flag out_chg (#5526) Container #2299: Commit 7ef0528 pushed by mohanchen
November 19, 2024 08:52 3h 1m 46s develop
develop
November 19, 2024 08:52 3h 1m 46s
Update gint.h (#5525) Container #2298: Commit f041019 pushed by mohanchen
November 19, 2024 08:51 3h 0m 52s develop
develop
November 19, 2024 08:51 3h 0m 52s
Refactor: refactor the relevant code for psi initializer (#5474) Container #2297: Commit 30c9b28 pushed by Qianruipku
November 19, 2024 08:31 2h 39m 44s develop
develop
November 19, 2024 08:31 2h 39m 44s
Refactor: make get_S a new esolver (#5515) Container #2296: Commit da1baf5 pushed by mohanchen
November 19, 2024 04:12 1h 27m 41s develop
develop
November 19, 2024 04:12 1h 27m 41s
init nonlocal beta orbitals only when necessary (#5511) Container #2295: Commit f68dc9f pushed by mohanchen
November 19, 2024 04:05 1h 32m 48s develop
develop
November 19, 2024 04:05 1h 32m 48s
Fix: fix a bug of relax_nmax default (#5506) Container #2294: Commit 8c9e0da pushed by mohanchen
November 19, 2024 04:02 1h 33m 43s develop
develop
November 19, 2024 04:02 1h 33m 43s
Fix: fix the compilation failure with DFTD3 autoset implementation (#… Container #2293: Commit 78497ca pushed by mohanchen
November 19, 2024 03:55 1h 3m 35s develop
develop
November 19, 2024 03:55 1h 3m 35s
Fix: support lmax of orbital 5, 6, 7 (#5519) Container #2292: Commit 362fee1 pushed by mohanchen
November 19, 2024 03:46 56m 38s develop
develop
November 19, 2024 03:46 56m 38s
add unit test for math_lebedev_laikov (#5513) Container #2291: Commit 7a87079 pushed by mohanchen
November 18, 2024 08:38 6h 14m 9s develop
develop
November 18, 2024 08:38 6h 14m 9s
Refactor: move dftu_cal_occup_m to dftu (#5512) Container #2290: Commit 4a69545 pushed by mohanchen
November 18, 2024 08:37 6h 13m 3s develop
develop
November 18, 2024 08:37 6h 13m 3s
Refactor:Add cuda support for fft_bundle (#5508) Container #2289: Commit 593c30d pushed by mohanchen
November 18, 2024 08:35 6h 13m 43s develop
develop
November 18, 2024 08:35 6h 13m 43s
v3.8.3 (#5500) Container #2288: Commit 4116e55 pushed by WHUweiqingzhou
November 18, 2024 07:22 6h 24m 53s v3.8.3
v3.8.3
November 18, 2024 07:22 6h 24m 53s
v3.8.3 (#5500) Container #2287: Commit 4116e55 pushed by WHUweiqingzhou
November 18, 2024 07:20 58m 3s develop
develop
November 18, 2024 07:20 58m 3s
provide more information on distribution error (#5509) Container #2286: Commit 48788b8 pushed by mohanchen
November 17, 2024 03:14 36m 52s develop
develop
November 17, 2024 03:14 36m 52s
Refactor: replace pvpr with hcontainer (#5490) Container #2285: Commit 6ec2919 pushed by mohanchen
November 16, 2024 06:10 51m 45s develop
develop
November 16, 2024 06:10 51m 45s
Tests: supplementing some tests with OPENMP check directives (#5504) Container #2284: Commit 376f28e pushed by mohanchen
November 16, 2024 06:09 36m 59s develop
develop
November 16, 2024 06:09 36m 59s
Feature: Ground state projection tool for RT-TDDFT (#5477) Container #2283: Commit 5816785 pushed by mohanchen
November 15, 2024 15:33 4h 38m 5s develop
develop
November 15, 2024 15:33 4h 38m 5s
Feature: (minor) support various boolean expressions for outputting f… Container #2282: Commit 4087ffd pushed by mohanchen
November 15, 2024 15:31 4h 38m 12s develop
develop
November 15, 2024 15:31 4h 38m 12s
Fix: nscf for hse (#5499) Container #2281: Commit c440291 pushed by mohanchen
November 15, 2024 15:30 4h 37m 31s develop
develop
November 15, 2024 15:30 4h 37m 31s
Update esolver_ks_pw.cpp (#5498) Container #2280: Commit f381836 pushed by mohanchen
November 15, 2024 07:06 4h 53m 44s develop
develop
November 15, 2024 07:06 4h 53m 44s
Fix GPU memory recorder's memory leak (#5491) Container #2279: Commit 6bff8e3 pushed by WHUweiqingzhou
November 15, 2024 03:48 6h 20m 17s v3.8.3
v3.8.3
November 15, 2024 03:48 6h 20m 17s