home/categories/computational-chemistry/jinzhezenggroup-computational-chemistry-agent-skills-quantum-chemistry-dft-abinit-md-skill-md
computational-chemistryresearch
md
Prepare ABINIT molecular-dynamics task inputs from a user-provided structure and MD controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, and thermostat controls.
maintainer
jinzhezenggroup
更新日 3/24/2026
スター
32
フォーク
10
quick start
Installation and usage
Prepare ABINIT molecular-dynamics task inputs from a user-provided structure and MD controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, and thermostat controls.
インストール
$ install --globalskills.sh
使い方
インストール後、ターミナルで以下のコマンドを実行してこのスキルを使用できます：
skills use md