python-ase

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

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Repository: jkitchin/knowhow
Last source activity: October 26, 2026 at 18:42
Detected SKILL.md language: English
Stars: 42
Forks: 9

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

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