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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
Feature: move scf_ene_thr before mix_rho (#5375) Container #2219: Commit 4d2366c pushed by mohanchen
1h 26m 0s develop
develop
1h 26m 0s
Feature: make init stochastic WF support GPU (#5365) Container #2218: Commit 4294ee7 pushed by mohanchen
1h 42m 19s develop
develop
1h 42m 19s
Refactor IO cube (#5362) Container #2217: Commit 705dad7 pushed by mohanchen
1h 11m 14s develop
develop
1h 11m 14s
docs: replace sphinx-rtd-theme with sphinx-book-theme (#5360) Container #2216: Commit 4e53045 pushed by mohanchen
2h 1m 24s develop
develop
2h 1m 24s
Refactor: move print_rhofft and print_wfcfft to ModuleIO (#5358) Container #2215: Commit fe3b44f pushed by mohanchen
52m 1s develop
develop
52m 1s
Feature: make SCF converges only if drho and dene is smaller than thr… Container #2214: Commit 821b184 pushed by mohanchen
1h 2m 55s develop
develop
1h 2m 55s
fix the symmetry condition in rpa (#5355) Container #2213: Commit f33650f pushed by mohanchen
47m 18s develop
develop
47m 18s
fix build scripts (#5350) Container #2212: Commit 7a29e2f pushed by mohanchen
53m 11s develop
develop
53m 11s
Change the default setting for symmetry when berry_phase=1 (#5349) Container #2211: Commit 066dfbb pushed by mohanchen
52m 24s develop
develop
52m 24s
Feature: MPI available on ABACUS DSP version (#5351) Container #2210: Commit 72d9d1d pushed by mohanchen
37m 20s develop
develop
37m 20s
Refactor: Organize code structure to improve maintainability in pyaba… Container #2209: Commit 729059f pushed by mohanchen
51m 13s develop
develop
51m 13s
fix exxsym (#5348) Container #2208: Commit e4044a4 pushed by mohanchen
37m 33s develop
develop
37m 33s
Fix: Fix Consts memory leak by directly removing custome consts (#5344) Container #2207: Commit 5a774bf pushed by mohanchen
48m 15s develop
develop
48m 15s
Fix: do not bcast my_rank (#5339) Container #2206: Commit d7150d0 pushed by Qianruipku
37m 44s develop
develop
37m 44s
Feature: Add Cell for pyabacus (#5247) Container #2205: Commit 1b3f76e pushed by mohanchen
39m 22s develop
develop
39m 22s
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