python-ase

Expert assistance with the Atomic Simulation Environment (ASE) Python library for atomistic simulations, including structure building, calculator setup, optimization, dynamics, and analysis

by jkitchin· Repository·development

Run in AgentArea Browse All Skills

Also installable via skills CLI

npx skills add jkitchin/skillz/development/python-ase

Source

Repo:SkillsMP + GitHub Raw

Path:development/python-ase(main)

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