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.
原文语言:多语言混合
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SkillsMP 已收集 photonics-dhl/Dirac_solver 中的 7 个 Skill。打开任一 Skill 可查看来源和详情。
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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.
原文语言:多语言混合
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.
原文语言:英语
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.
原文语言:英语
Use for Dirac execution stage to run harness and Octopus with endpoint fallback and audit artifacts.
原文语言:英语
Use for Dirac benchmark planning when selecting case scope, tolerance gates, and execution budgets before running harness/Octopus.
原文语言:英语
Use for strict production gate reviews of Dirac orchestration outputs across physics quality, KB quality, UI readiness, and contract completion.
原文语言:英语
Use when the user asks to build, refresh, validate, or inspect the Dirac DFT/TDDFT vector knowledge base, including ingestion status and retrieval quality.
原文语言:英语