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Fix&Refactor: soc force/stress error for LCAO code, refactor the forc… Container #2244: Commit 502fdec pushed by mohanchen
46m 57s develop
develop
46m 57s
Refactor: refactor iter_finish and iter_init (#5426) Container #2243: Commit d81cb46 pushed by mohanchen
37m 44s develop
develop
37m 44s
Feature: enable ABACUS can finish SCF if charge density oscillation i… Container #2242: Commit 0d455cb pushed by WHUweiqingzhou
38m 7s develop
develop
38m 7s
Refactor: modify EXX realx/md calculation framework (#5403) Container #2241: Commit cc9d759 pushed by mohanchen
1h 14m 14s develop
develop
1h 14m 14s
Fix: update the example of vdwd3 acoording to the latest impl. (#5418) Container #2240: Commit d533ad5 pushed by mohanchen
1h 13m 47s develop
develop
1h 13m 47s
Refactor: remove useless functions in esolver (#5416) Container #2239: Commit dd862ea pushed by YuLiu98
1h 13m 16s develop
develop
1h 13m 16s
wrap exx-routine in iter_finish (#5413) Container #2238: Commit 27075c1 pushed by mohanchen
57m 59s develop
develop
57m 59s
Fix: not build useless library without ENABLE_LCAO (#5412) Container #2237: Commit efd8594 pushed by mohanchen
1h 0m 9s develop
develop
1h 0m 9s
Feature: build-in DFTD3 parameters (#5378) Container #2236: Commit edfa4c1 pushed by mohanchen
1h 32m 57s develop
develop
1h 32m 57s
Feature: Optimized memory management on DSP (#5361) Container #2235: Commit ddf990f pushed by mohanchen
1h 11m 20s develop
develop
1h 11m 20s
Fix: disable the XC in LibXC in which nonlocal dispersion correction … Container #2234: Commit 535c7f9 pushed by mohanchen
46m 26s develop
develop
46m 26s
LRCG (#5399) Container #2233: Commit e5768ec pushed by mohanchen
5h 59m 39s develop
develop
5h 59m 39s
Docs: Add Chinese wiki page link to README (#5382) Container #2232: Commit d9984c8 pushed by mohanchen
6h 2m 16s develop
develop
6h 2m 16s
Feature: Add CG algorithm to pyabacus.hsolver (#5398) Container #2231: Commit 5f9a1c6 pushed by mohanchen
6h 1m 32s develop
develop
6h 1m 32s
Fix cal_edm_tddft (#5396) Container #2230: Commit 628bdc6 pushed by mohanchen
6h 1m 6s develop
develop
6h 1m 6s
update version v3.8.2 (#5400) Container #2229: Commit 9847e76 pushed by dyzheng
6h 45m 57s v3.8.2
v3.8.2
6h 45m 57s
update version v3.8.2 (#5400) Container #2228: Commit 9847e76 pushed by dyzheng
50m 14s develop
develop
50m 14s
disable four rarely used functionals which involves the laplacian of … Container #2227: Commit e27ac49 pushed by mohanchen
39m 35s develop
develop
39m 35s
Feature: change the default value of ecutwfc based on basis_type (#… Container #2226: Commit 18df359 pushed by mohanchen
38m 20s develop
develop
38m 20s
Fix: widen the range of support on STRU file of Molden interface (#5388) Container #2225: Commit 0f44046 pushed by mohanchen
53m 8s develop
develop
53m 8s
UT for rw_cube (#5384) Container #2224: Commit 137235d pushed by mohanchen
51m 41s develop
develop
51m 41s
Fix: force and stress calculation with noncollinear-spin or SOC for P… Container #2223: Commit e276480 pushed by mohanchen
50m 34s develop
develop
50m 34s
add the docs about deeptb (#5386) Container #2222: Commit 6cdb848 pushed by mohanchen
54m 8s develop
develop
54m 8s
Docs: update the docs about DeePKS (#5385) Container #2221: Commit 9f4d864 pushed by mohanchen
38m 19s develop
develop
38m 19s
Unify the output of BFGS, CG, and FIRE relaxation method. (#5374) Container #2220: Commit 3984296 pushed by mohanchen
38m 16s develop
develop
38m 16s