home/categories/scientific-computing/jinzhezenggroup-computational-chemistry-agent-skills-atomistic-workflows-ase-ase-workflows-md-skill-md
scientific-computingresearch
md
Prepare ASE molecular-dynamics workflow tasks with backend-agnostic controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, thermostat, and output policies.
maintainer
jinzhezenggroup
์
๋ฐ์ดํธ๋จ 2026. 3. 24.
์คํ
32
ํฌํฌ
10
quick start
Installation and usage
Prepare ASE molecular-dynamics workflow tasks with backend-agnostic controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, thermostat, and output policies.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use md