home/categories/framework-internals/jinzhezenggroup-computational-chemistry-agent-skills-quantum-chemistry-dft-cp2k-relax-skill-md
framework-internalsdevelopment
relax
Prepare CP2K geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled optimization with explicit optimizer and convergence controls.
maintainer
jinzhezenggroup
更新日 3/24/2026
スター
32
フォーク
10
quick start
Installation and usage
Prepare CP2K geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled optimization with explicit optimizer and convergence 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 relax