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devcontainer.yml
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Fix non-LCAO elecstate energy test mock (#7736) Container #3665: Commit 3a7ce9f pushed by mohanchen
16m 50s develop
develop
16m 50s
Fix relax_new test linkage for Relax_Data (#7737) Container #3664: Commit 2ddd27b pushed by mohanchen
43s develop
develop
43s
fix: reject genelpa with GPU device (#7738) Container #3663: Commit 5f7a9eb pushed by mohanchen
41s develop
develop
41s
Reject negative DeePKS output frequency (#7740) Container #3662: Commit 4a86b41 pushed by mohanchen
3m 8s develop
develop
3m 8s
Refactor(input): encode relaxation variants in relax_method (#7735) Container #3661: Commit aba938d pushed by mohanchen
46m 0s develop
develop
46m 0s
Fix GPU validation authorization and accounting retries (#7732) Container #3660: Commit d91ae4c pushed by mohanchen
8m 28s develop
develop
8m 28s
Evaluate vdW corrections once per ionic step (#7712) Container #3659: Commit be4f130 pushed by mohanchen
8m 42s develop
develop
8m 42s
Fix(input): validate contradictory final parameters (#7731) Container #3658: Commit b95f433 pushed by mohanchen
13m 2s develop
develop
13m 2s
Refactor the operators in source_lcao (#7714) Container #3657: Commit 7ef087d pushed by mohanchen
5m 25s develop
develop
5m 25s
Add unified H/S matrix output options and gamma-only H(R)/S(R) output… Container #3656: Commit 6aecf0e pushed by mohanchen
9m 31s develop
develop
9m 31s
refactor: use BaseCell in ESolver interface (#7700) Container #3655: Commit d670348 pushed by mohanchen
17m 20s develop
develop
17m 20s
Temporarily remove DeePKS nspin test. (#7725) Container #3654: Commit 1ee758f pushed by mohanchen
16m 33s develop
develop
16m 33s
Fix: quit explicitly for unsupported EXX stress combinations (#7717) Container #3653: Commit 673bfef pushed by mohanchen
1m 23s develop
develop
1m 23s
Fix(input): require explicit GPU device selection (#7720) Container #3652: Commit 13d0428 pushed by mohanchen
14m 56s develop
develop
14m 56s
Fix and cleanup devcontainer workflow (#7716) Container #3651: Commit 1cd141d pushed by mohanchen
26m 55s develop
develop
26m 55s
Fix: use real radial grids in RT projector interpolation (Useful Info… Container #3650: Commit c5e066e pushed by mohanchen
1m 49s develop
develop
1m 49s
change the threshold of the exx-nspin4-sym test case (#7715) Container #3649: Commit f83f423 pushed by mohanchen
13s develop
develop
13s
Update devcontainer.yml Container #3648: Commit 51b08c7 pushed by ZhouXY-PKU
Failure ZhouXY-PKU-patch-workflow
ZhouXY-PKU-patch-workflow
Failure
Container Container #3647: by ZhouXY-PKU
2m 21s
2m 21s
Move module_gint from source_lcao to source_hamilt (#7710) Container #3646: Commit d6ed1fc pushed by mohanchen
3m 14s develop
develop
3m 14s
Refactor: inject solver config into HSolver/PEXSI instead of reading … Container #3645: Commit 45969a6 pushed by mohanchen
1m 49s develop
develop
1m 49s
Feature: fully utilized magnetic space group (MSG) enabling SOC (#7692) Container #3644: Commit 11d1112 pushed by mohanchen
18s develop
develop
18s
Fix Dockerfiles (#7703) Container #3643: Commit 3e64d44 pushed by mohanchen
2m 9s develop
develop
2m 9s
move hcontainer from source_lcao to source_hamilt (#7708) Container #3642: Commit 39c688e pushed by mohanchen
13s develop
develop
13s
Refactor init_esolver factory interface (#7702) Container #3641: Commit 408b661 pushed by mohanchen
14s develop
develop
14s