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devcontainer.yml
324 workflow run results
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fix some warnings about esolver (#5807) Container #2449: Commit 028e91d pushed by YuLiu98
25m 45s develop
develop
25m 45s
Fix: optimize lr_spectrum (#5805) Container #2448: Commit b5a5068 pushed by mohanchen
33m 38s develop
develop
33m 38s
Refactor: update logic of init_chg (#5801) Container #2447: Commit 35fe565 pushed by mohanchen
27m 28s develop
develop
27m 28s
Restore deepks unit test in gamma-only case and make H_V_delta have f… Container #2446: Commit d061719 pushed by mohanchen
24m 7s develop
develop
24m 7s
Fix: instable nonlocal pp in uspp (#5798) Container #2445: Commit 7d14803 pushed by mohanchen
45m 26s develop
develop
45m 26s
delete test print (#5795) Container #2444: Commit cecf36a pushed by mohanchen
45m 7s develop
develop
45m 7s
Enable the support of singular number of electrions in DeepKS orbital… Container #2443: Commit f1b2061 pushed by mohanchen
24m 19s develop
develop
24m 19s
Refactor:Remove update_tau_pos in ucell (#5783) Container #2442: Commit c53f445 pushed by mohanchen
34m 1s develop
develop
34m 1s
Feature: enable init_chg=file for metagga (#5792) Container #2441: Commit 7ae18a5 pushed by mohanchen
24m 11s develop
develop
24m 11s
Initial commit (#5790) Container #2440: Commit 3a2eb06 pushed by mohanchen
37m 27s develop
develop
37m 27s
Refactor: Remove some redundant variables and global dependence in De… Container #2439: Commit d7b76fc pushed by mohanchen
40m 12s develop
develop
40m 12s
Feature: binary format of backup charge density (#5782) Container #2438: Commit cd48c62 pushed by mohanchen
24m 34s develop
develop
24m 34s
Refactor: decrease uninitialized member values and the risk of memory… Container #2437: Commit 6fadfb9 pushed by mohanchen
55m 48s develop
develop
55m 48s
Fix: correct the typo and format error in doc (#5788) Container #2436: Commit 3abf2fc pushed by mohanchen
40m 36s develop
develop
40m 36s
Fix and reopen UT in HContainer output. (#5781) Container #2435: Commit 201f752 pushed by mohanchen
24m 26s develop
develop
24m 26s
Refactor: Remove global dependence of some functions in DeePKS. (#5778) Container #2434: Commit 9bf2533 pushed by mohanchen
29m 20s develop
develop
29m 20s
Refactor:Move the relaxation part of the ucell function (#5767) Container #2433: Commit 5e8bc21 pushed by mohanchen
24m 21s develop
develop
24m 21s
v3.9.0 (#5770) Container #2432: Commit 68735ed pushed by WHUweiqingzhou
1h 3m 48s v3.9.0
v3.9.0
1h 3m 48s
v3.9.0 (#5770) Container #2431: Commit 68735ed pushed by WHUweiqingzhou
1h 5m 14s develop
develop
1h 5m 14s
Fix: enable ecutrho/ecutwfc > 4 for ncpp (#5765) Container #2430: Commit 79e054e pushed by mohanchen
32m 56s develop
develop
32m 56s
Fix: read atomic magnetization error (#5772) Container #2429: Commit c3e78f7 pushed by mohanchen
24m 6s develop
develop
24m 6s
Refactor: Replace nlm_save in DeePKS by HContainer object `phialpha… Container #2428: Commit 28df43d pushed by mohanchen
38m 39s develop
develop
38m 39s
Feature: LR-TDDFT absorption spectrum in velocity gauge (#5760) Container #2427: Commit 0cdab49 pushed by WHUweiqingzhou
19m 29s develop
develop
19m 29s
v3.9.0 Container #2426: Commit b22769f pushed by WHUweiqingzhou
15m 46s develop
develop
15m 46s
Feature: LR-TDDFT absorption spectrum in velocity gauge (#5760) Container #2425: Commit 0cdab49 pushed by mohanchen
41m 55s develop
develop
41m 55s