Use when running Octopus DFT/TDDFT calculations — select optimal mpirun -np and ParStates/ParDomains/OMP configuration for the system size. For new molecules or large systems, run a quick parallel scaling benchmark first.
原文の言語: 複数言語
メニュー
SkillsMP は photonics-dhl/Dirac_solver から 7 件の skill を収集しています。skill を開くとソースと詳細を確認できます。
収集済み skill 7 件中 7 件を表示しています。
Use when running Octopus DFT/TDDFT calculations — select optimal mpirun -np and ParStates/ParDomains/OMP configuration for the system size. For new molecules or large systems, run a quick parallel scaling benchmark first.
原文の言語: 複数言語
Use when the user asks to debug Dirac_solver execution, verify OpenClaw execution capability, or validate state synchronization across queue, bridge, and progress sync files.
原文の言語: 英語
Use when the user asks to debug Dirac_solver execution, verify OpenClaw execution capability, or validate state synchronization across queue, bridge, and progress sync files.
原文の言語: 英語
Use for Dirac execution stage to run harness and Octopus with endpoint fallback and audit artifacts.
原文の言語: 英語
Use for Dirac benchmark planning when selecting case scope, tolerance gates, and execution budgets before running harness/Octopus.
原文の言語: 英語
Use for strict production gate reviews of Dirac orchestration outputs across physics quality, KB quality, UI readiness, and contract completion.
原文の言語: 英語
Use when the user asks to build, refresh, validate, or inspect the Dirac DFT/TDDFT vector knowledge base, including ingestion status and retrieval quality.
原文の言語: 英語