Pyabacus Build and Test

Workflow runs for Pyabacus Build and Test

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11925:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20264m 48s
  More actions for workflow run 11925

• Refactor occupation matrix initialization

  completed successfully:
  Pyabacus Build and Test#11924:Pull request#8147openedbylanshuyue
  lanshuyue:refactor/occ-matrix-complexity

  Oct 14, 20262m 19s
  More actions for workflow run 11924

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11923:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 24s
  More actions for workflow run 11923

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11922:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 35s
  More actions for workflow run 11922

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11921:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 8s
  More actions for workflow run 11921

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11920:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 10s
  More actions for workflow run 11920

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11919:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 6s
  More actions for workflow run 11919

• fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap

  completed successfully:
  Pyabacus Build and Test#11918:Pull request#8145synchronizebymemii-x
  memii-x:codex/upstream-rt-endpoint-metric-20261014

  Oct 14, 20262m 25s
  More actions for workflow run 11918

• feat(xc): add libvdwxc-backed rVV10 nonlocal XC

  completed successfully:
  Pyabacus Build and Test#11917:Pull request#8140synchronizebyCleverPhysician
  CleverPhysician:rvv10-latest-clean

  Oct 14, 20262m 22s
  More actions for workflow run 11917

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11916:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 30s
  More actions for workflow run 11916

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11915:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 36s
  More actions for workflow run 11915

• Fix: Include index zero in nspin=4 G=0 magnetization contributions

  completed successfully:
  Pyabacus Build and Test#11914:Pull request#8146openedbyAsTonyshment
  AsTonyshment:fix/nspin4_ig0

  Oct 14, 20262m 26s
  More actions for workflow run 11914

• feat(xc): add libvdwxc-backed rVV10 nonlocal XC

  completed successfully:
  Pyabacus Build and Test#11913:Pull request#8140synchronizebyCleverPhysician
  CleverPhysician:rvv10-latest-clean

  Oct 14, 20262m 28s
  More actions for workflow run 11913

• fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap

  completed successfully:
  Pyabacus Build and Test#11912:Pull request#8145synchronizebymemii-x
  memii-x:codex/upstream-rt-endpoint-metric-20261014

  Oct 14, 20262m 7s
  More actions for workflow run 11912

• Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS

  completed successfully:
  Pyabacus Build and Test#11911:Pull request#8144synchronizebyDanielZhao0432
  DanielZhao0432:261013-fix-dos-pdos-issues

  Oct 14, 20262m 26s
  More actions for workflow run 11911

• fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap

  completed successfully:
  Pyabacus Build and Test#11910:Pull request#8145synchronizebymemii-x
  memii-x:codex/upstream-rt-endpoint-metric-20261014

  Oct 14, 20262m 26s
  More actions for workflow run 11910

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  completed successfully:
  Pyabacus Build and Test#11909:Pull request#8069synchronizebymaki49
  maki49:LR-Grad-relax

  Oct 14, 20262m 17s
  More actions for workflow run 11909

• Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS

  completed successfully:
  Pyabacus Build and Test#11908:Pull request#8144synchronizebyDanielZhao0432
  DanielZhao0432:261013-fix-dos-pdos-issues

  Oct 14, 20262m 27s
  More actions for workflow run 11908

• fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap

  completed successfully:
  Pyabacus Build and Test#11907:Pull request#8145openedbymemii-x
  memii-x:codex/upstream-rt-endpoint-metric-20261014

  Oct 14, 20262m 8s
  More actions for workflow run 11907

• Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS

  completed successfully:
  Pyabacus Build and Test#11906:Pull request#8144openedbyDanielZhao0432
  DanielZhao0432:261013-fix-dos-pdos-issues

  Oct 14, 20262m 32s
  More actions for workflow run 11906

• fix: pass MDCell ghost communication plan to DeePMD

  completed successfully:
  Pyabacus Build and Test#11905:Pull request#8143openedby19hello
  19hello:fix/issue-8108-mdcell-deepmd-comm

  Oct 14, 20262m 26s
  More actions for workflow run 11905

• Feature: support EXX PW (screened hybrid) NSCF

  completed successfully:
  Pyabacus Build and Test#11904:Pull request#8093synchronizebyFlying-dragon-boxing
  Flying-dragon-boxing:feature/pw-hybrid-nscf

  Oct 14, 20262m 23s
  More actions for workflow run 11904

• Feature: support EXX PW (screened hybrid) NSCF

  completed successfully:
  Pyabacus Build and Test#11903:Pull request#8093synchronizebyFlying-dragon-boxing
  Flying-dragon-boxing:feature/pw-hybrid-nscf

  Oct 14, 20262m 24s
  More actions for workflow run 11903

• Feature: support EXX PW (screened hybrid) NSCF

  completed successfully:
  Pyabacus Build and Test#11902:Pull request#8093synchronizebyFlying-dragon-boxing
  Flying-dragon-boxing:feature/pw-hybrid-nscf

  Oct 14, 20262m 20s
  More actions for workflow run 11902

• feat(xc): add libvdwxc-backed rVV10 nonlocal XC

  completed successfully:
  Pyabacus Build and Test#11901:Pull request#8140synchronizebyCleverPhysician
  CleverPhysician:rvv10-latest-clean

  Oct 14, 20262m 33s
  More actions for workflow run 11901