← All skills

lammps-reaxff

80 / 100 · Low risk

Fine to try.

By jinzhezenggroup/computational-chemistry-agent-skills (GitHub) · other · 157 stars · scanned at commit 8ab83a9

Run reactive molecular dynamics simulations in LAMMPS with the ReaxFF potential, including preparing input scripts (pair_style reaxff + fix qeq/reaxff), mapping LAMMPS atom types to elements via pair_coeff, choosing ensembles (NVE/NVT/NPT), and adding common ReaxFF diagnostics such as species analysis. Use when the user wants LAMMPS+ReaxFF workflows or needs a working, annotated `input.lammps` template.

Works with any agent that supports SKILL.md skills.

What this skill can do

Install

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

if [ -e ~/.agents/skills/'lammps-reaxff' ] || [ -L ~/.agents/skills/'lammps-reaxff' ]; then echo 'A skill folder named lammps-reaxff already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/jinzhezenggroup/computational-chemistry-agent-skills' "$d" && git -C "$d" checkout --quiet '8ab83a96292bb4d13ba7e4a2b015015f0332e8cc' -- 'molecular-dynamics/lammps-reaxff' && mkdir -p ~/.agents/skills && cp -R "$d"/'molecular-dynamics/lammps-reaxff' ~/.agents/skills/'lammps-reaxff' && 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/'lammps-reaxff' ~/.claude/skills/'lammps-reaxff' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

Badge for your README

The badge for jinzhezenggroup/computational-chemistry-agent-skills shows the score of its lowest-scoring skill.

[![SkillTrust](https://zalavijaysinh.github.io/skilltrust/badges/jinzhezenggroup/computational-chemistry-agent-skills.svg)](https://zalavijaysinh.github.io/skilltrust/repos/jinzhezenggroup/computational-chemistry-agent-skills/)

Score history