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cif-to-vasp

100 / 100 · Low risk

Fine to try.

By pdl-openair/OpenAIR (GitHub) · coding · 16 stars · scanned at commit cb37612

Generate VASP input files (POSCAR, INCAR, KPOINTS, POTCAR) from CIF crystal structure files. Use this skill whenever the user needs to prepare VASP calculations from crystal structure data, convert CIF to POSCAR, set up relaxation or static calculations, or generate VASP input sets. Also trigger when the user mentions VASP input preparation, POSCAR generation, or asks why their VASP calculation fails with ZHEGV/memory errors after generating input files — the root cause is often incorrect POSCA…

Works with any agent that supports SKILL.md skills.

What this skill can do

We found nothing in the files we read that matches our rules. That does not prove the skill is safe: see the limits of static scanning.

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'cif-to-vasp' ] || [ -L ~/.agents/skills/'cif-to-vasp' ]; then echo 'A skill folder named cif-to-vasp already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/pdl-openair/OpenAIR' "$d" && git -C "$d" checkout --quiet 'cb37612d98d6155a133121a1f0d7cd3e06c985a8' -- 'skills/materials/cif-to-vasp' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/materials/cif-to-vasp' ~/.agents/skills/'cif-to-vasp' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'cif-to-vasp' ~/.claude/skills/'cif-to-vasp' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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