home/categories/health-fitness/jinzhezenggroup-computational-chemistry-agent-skills-quantum-chemistry-dftbplus-relax-skill-md
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relax
Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.
maintainer
jinzhezenggroup
์
๋ฐ์ดํธ๋จ 2026. 3. 23.
์คํ
32
ํฌํฌ
10
quick start
Installation and usage
Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
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skills use relax