xtbloom-integrate-ase-dpdata
De la autor
Integrate xTBloom with ASE or dpdata for molecular energy, force, charge, labeling, relaxation, optimizer, or dynamics workflows. Use when an AI coding agent needs to attach the xTBloom ASE calculator, configure dpdata's xtbloom driver or batch minimizer, preserve the adapters' eV/angstrom conventions, choose reproducible versus warm-started execution, or diagnose unsupported periodic inputs.
Instalare
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill xtbloom-integrate-ase-dpdata -a claude-code
Se instalează în .claude/skills/xtbloom-integrate-ase-dpdata/ · Fiecare comandă descarcă skill-ul direct de pe GitHub cu utilitarul open source skills.
Fără descărcare: licența acestui skill (LGPL-3.0) nu ne permite să-i redistribuim fișierele. Comenzile de instalare le iau direct de pe GitHub.
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Verificări de siguranță pe SKILL.md
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De ce 82
aiqbench calculează scorul de încredere din semnale publice. Nu este un audit de securitate, așa că citește un skill înainte să-l instalezi.
Skill-uri similare
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