GPU validation

Workflow runs for GPU validation

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

  skipped:
  GPU validation#539:Issue comment#8069 (comment)createdbymohanchen
  Oct 15, 20261s
  More actions for workflow run 539

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

  skipped:
  GPU validation#538:Issue comment#8069 (comment)createdbymohanchen
  Oct 15, 20261s
  More actions for workflow run 538

• GPU validation

  failed:
  GPU validation#537:Scheduled
  develop

  Oct 14, 20267m 54s
  More actions for workflow run 537

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

  skipped:
  GPU validation#536:Issue comment#8140 (comment)createdbyCleverPhysician
  Oct 14, 20262s
  More actions for workflow run 536

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

  skipped:
  GPU validation#535:Issue comment#8140 (comment)createdbyCleverPhysician
  Oct 14, 20262s
  More actions for workflow run 535

• [Feat] Add CLI variable injection (-p/--parameter) and custom INPUT path (-in/--input) (PART I)

  skipped:
  GPU validation#534:Issue comment#8089 (comment)createdbyZhouXY-PKU
  Oct 14, 20261s
  More actions for workflow run 534

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

  skipped:
  GPU validation#533:Issue comment#8144 (comment)createdbyDanielZhao0432
  Oct 14, 20261s
  More actions for workflow run 533

• [Bug] esolver_type=dp (MDCell): message-passing models (DPA-2/repformers) abort at MD step 1 or give wrong energies — missing InputNlist communication setup

  skipped:
  GPU validation#532:Issue comment#8108 (comment)createdby19hello
  Oct 14, 20262s
  More actions for workflow run 532

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

  skipped:
  GPU validation#531:Issue comment#8140 (comment)createdbyGrowl1234
  Oct 14, 20262s
  More actions for workflow run 531

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

  skipped:
  GPU validation#530:Issue comment#8140 (comment)createdbyGrowl1234
  Oct 14, 20261s
  More actions for workflow run 530

• GPU validation

  skipped:
  GPU validation#529:createdbyGrowl1234
  Oct 14, 20262s
  More actions for workflow run 529

• Feature: support EXX PW (screened hybrid) NSCF

  skipped:
  GPU validation#528:Issue comment#8093 (comment)createdbychatgpt-codex-connector[bot]Bot
  Oct 14, 20262s
  More actions for workflow run 528

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

  skipped:
  GPU validation#527:Issue comment#8140 (comment)createdbyCleverPhysician
  Oct 14, 20261s
  More actions for workflow run 527

• GPU validation

  skipped:
  GPU validation#526:createdbyFlying-dragon-boxing
  Oct 14, 20261s
  More actions for workflow run 526

• Feature: support EXX PW (screened hybrid) NSCF

  skipped:
  GPU validation#525:Issue comment#8093 (comment)createdbyFlying-dragon-boxing
  Oct 14, 20262s
  More actions for workflow run 525

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

  skipped:
  GPU validation#524:Issue comment#8140 (comment)createdbyCleverPhysician
  Oct 14, 20261s
  More actions for workflow run 524

• Use mapped-density FFT gradients for noncollinear gga_grad=2

  skipped:
  GPU validation#523:Issue comment#8135 (comment)createdbymohanchen
  Oct 14, 20261s
  More actions for workflow run 523

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

  skipped:
  GPU validation#522:Issue comment#8140 (comment)createdbyCleverPhysician
  Oct 14, 20261s
  More actions for workflow run 522

• Feat: add PPCG solver for PW diagonalization (reopened)

  skipped:
  GPU validation#521:Issue comment#8042 (comment)createdbycheerly-pku
  Oct 14, 20269s
  More actions for workflow run 521

• Feature: Add estep_per_md > 1 and td_print_eij support to PW RT-TDDFT

  skipped:
  GPU validation#520:Issue comment#8139 (comment)createdbyAsTonyshment
  Oct 14, 20261s
  More actions for workflow run 520

• Add constant-potential electron control to the i-PI socket driver

  skipped:
  GPU validation#519:Issue comment#8136 (comment)createdbymohanchen
  Oct 14, 20261s
  More actions for workflow run 519

• refactor(ofdft): reduce raw new/delete in ESolver

  skipped:
  GPU validation#518:Issue comment#8141 (comment)createdbymohanchen
  Oct 14, 20261s
  More actions for workflow run 518

• Feature: Add estep_per_md > 1 and td_print_eij support to PW RT-TDDFT

  skipped:
  GPU validation#517:Issue comment#8139 (comment)createdbyCritsium-xy
  Oct 14, 20262s
  More actions for workflow run 517

• Feature: Add estep_per_md > 1 and td_print_eij support to PW RT-TDDFT

  skipped:
  GPU validation#516:Issue comment#8139 (comment)createdbyAsTonyshment
  Oct 14, 20262s
  More actions for workflow run 516

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

  skipped:
  GPU validation#515:Issue comment#8140 (comment)createdbyGrowl1234
  Oct 13, 20262s
  More actions for workflow run 515