home/categories/health-fitness/jinzhezenggroup-computational-chemistry-agent-skills-quantum-chemistry-dft-siesta-relax-skill-md
health-fitnessbusiness
relax
Prepare SIESTA geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization with explicit force/stress controls.
maintainer
jinzhezenggroup
Mis à jour 3/24/2026
Étoiles
32
Forks
10
quick start
Installation and usage
Prepare SIESTA geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization with explicit force/stress controls.
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use relax