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Feature: ldos in lcao basis sets (#6123) Container #2624: Commit 48434f0 pushed by mohanchen
1h 37m 23s develop
develop
1h 37m 23s
Fix: bug of divide_mpi_groups (#6120) Container #2623: Commit ef95b28 pushed by mohanchen
1h 9m 11s develop
develop
1h 9m 11s
Fix: add exit 1 for shell UTs (#6122) Container #2622: Commit eae7575 pushed by mohanchen
1h 8m 7s develop
develop
1h 8m 7s
Refactor&Docs: add annotation beside commented-out lines in VDW modul… Container #2621: Commit cb8a5ff pushed by mohanchen
52m 57s develop
develop
52m 57s
Feature : deepks_out_labels = 2 for label preperation in deepks train… Container #2620: Commit 9fb090c pushed by mohanchen
45m 5s develop
develop
45m 5s
Update DOS output formats (pw basis). (#6113) Container #2619: Commit ca7978a pushed by YuLiu98
45m 42s develop
develop
45m 42s
Test: add test for pw ldos (#6109) Container #2618: Commit aa52a32 pushed by mohanchen
45m 2s develop
develop
45m 2s
Fix: v_delta_precalc error in DeePKS. (#6106) Container #2617: Commit a338c25 pushed by ErjieWu
1h 57m 8s develop
develop
1h 57m 8s
Refactor: Simplify some functions in DeePKS. (#6102) Container #2616: Commit ab2e27a pushed by mohanchen
1h 4m 35s develop
develop
1h 4m 35s
Feature: ldos in pw basis set (#6100) Container #2615: Commit b930866 pushed by mohanchen
1h 7m 4s develop
develop
1h 7m 4s
Feature: print the expectation value of angular momentum operators Lx… Container #2614: Commit 0ec12d9 pushed by mohanchen
1h 7m 42s develop
develop
1h 7m 42s
Remove uncapsulted scalapack functions in dftu_occup.cpp (#6099) Container #2613: Commit dce3681 pushed by mohanchen
1h 6m 47s develop
develop
1h 6m 47s
20250403-fix a typo(missing newline) in cuda.md (#6103) Container #2612: Commit 7d65d73 pushed by mohanchen
1h 6m 21s develop
develop
1h 6m 21s
changing test 218 (#6088) Container #2611: Commit dce058a pushed by dyzheng
1h 16m 4s develop
develop
1h 16m 4s
Update Hamiltonian and Operator classes (#6084) Container #2610: Commit ce45c3f pushed by YuLiu98
4h 18m 0s develop
develop
4h 18m 0s
Rafactor:remove GlobalC::rhopw (#6093) Container #2609: Commit 06cffb7 pushed by mohanchen
1h 59m 30s develop
develop
1h 59m 30s
Docs: Correct intro to output in quickstart (#6095) Container #2608: Commit d1d14f2 pushed by mohanchen
2h 2m 23s develop
develop
2h 2m 23s
Refactor: Remove C++17 syntax and optimize DMR calculation in DeePKS.… Container #2607: Commit e3193c8 pushed by mohanchen
45m 5s develop
develop
45m 5s
Fix: std::out_of_range of map when out_mat_t with multi-core (#6090) Container #2606: Commit 6207798 pushed by mohanchen
1h 19m 34s develop
develop
1h 19m 34s
Refactor: replace 3.14 using PI (#6085) Container #2605: Commit bbf41aa pushed by YuLiu98
2h 0m 51s develop
develop
2h 0m 51s
Fix: Sign problem in DeePKS cal_pdm(). (#6082) Container #2604: Commit 60a408a pushed by mohanchen
45m 6s develop
develop
45m 6s
Update ABACUS output formats, accept it after 3.10 version (#6076) Container #2603: Commit 35448cb pushed by mohanchen
45m 4s develop
develop
45m 4s
Stable branch : update to version 3.10.0 (#6077) Container #2602: Commit 8eed91d pushed by dyzheng
6h 17m 35s v3.10.0
v3.10.0
6h 17m 35s
modify warning output (#6074) Container #2601: Commit 39b03c1 pushed by mohanchen
1h 17m 21s develop
develop
1h 17m 21s
Tests: remove mock of print func in md/esolver tests (#6073) Container #2600: Commit 26d8284 pushed by mohanchen
46m 1s develop
develop
46m 1s