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
آخر تحديث 3/24/2026
النجوم
32
التفرعات
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.
التثبيت
$ install --globalskills.sh
الاستخدام
بعد التثبيت، يمكنك استخدام هذه المهارة بتشغيل الأمر التالي في الطرفية:
skills use relax