From the author
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.
Install
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill relax -a claude-code
Installs to .claude/skills/relax/ · Each command fetches the skill straight from GitHub with the open skills CLI.
No download: this skill’s licence (LGPL-3.0) does not let us redistribute its files. The install commands fetch them from GitHub instead.
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Why 82
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