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SkillsMP는 charliecpeterson/chemtoolsmcp에서 4개의 skill을 수집했습니다. skill을 열어 소스와 세부 정보를 확인하세요.
수집된 skill 4개 중 4개를 표시합니다.
Inspect completed, failed, or partial output from NWChem, OpenMolcas, DIRAC, GRASP, Quantum ESPRESSO, QMCPACK, or ORCA. Use when the user asks whether a run is usable, why it failed, what the output proves, or what evidence supports a next step.
원문 언어: 영어
Refresh execution state and scientific progress for a calculation launched by the active Chemtools MCP process. Use when the user provides a Chemtools launch ID and asks whether its local process or Slurm job is queued, running, complete, or making scientific…
원문 언어: 영어
Plan a computational chemistry calculation before input syntax is written. Use when the user wants ordered stages, assumptions, required scientific decisions, or a strategy for a new calculation rather than an input file or immediate launch.
원문 언어: 영어
Review an existing NWChem, OpenMolcas, DIRAC, GRASP, Quantum ESPRESSO, or QMCPACK input before execution. Use when the user asks whether an input is valid, internally consistent, or ready to run without rewriting or launching it.
원문 언어: 영어