Lammps
LAMMPS molecular dynamics with DeepMD/DPA machine-learning potentials ONLY. This skill generates LAMMPS input files (in.lammps) using pair_style deepmd. Classical force fields (Stillinger-Weber, Tersoff, EAM, etc.) are NOT supported and must NEVER be suggested. The default model is the DPA3 pretrained checkpoint frozen with the Omat24 head (from DEEPMD_MODEL_PATH env var), identical to the ase-deepmd skill. A model file is always required — do NOT ask the user whether they want to use a classical potential instead. Bohrium's default DeepMD image (registry.dp.tech/dptech/deepmd-kit) already includes LAMMPS — no separate LAMMPS installation is needed. Covers structure conversion, input generation, Bohrium submission via bohrium skill, and result collection.
What this skill does
Lammps is a community-contributed Claude Code skill in the biology-medicine sub-category. It ships as a SKILL.md file that Claude Code auto-discovers under ~/.claude/skills/lammps/ and loads when your prompt matches the skill's trigger.
Who uses this skill
The Lammps Claude Code skill is built for researchers, data scientists, academics, and analysts working with complex data and scientific literature. It's part of ClaudSkills (also referred to as Claude Skills or Claude Code Skills) — the open community-curated registry of 116,000+ SKILL.md files for Anthropic's Claude Code agent and the wider Claude ecosystem (Claude API, Claude Agent SDK).
How to install
Free
Manual install (2 steps)
mkdir -p ~/.claude/skills/lammps
curl -L https://claudskills.com/skills/lammps/SKILL.md \
-o ~/.claude/skills/lammps/SKILL.md
Or just download SKILL.md directly and drop it into ~/.claude/skills/lammps/. Claude Code auto-discovers it on next session.
Skills live at ~/.claude/skills/lammps/SKILL.md on macOS/Linux, or %USERPROFILE%\.claude\skills\lammps\SKILL.md on Windows. See the full install guide for step-by-step instructions.
Telegram
📱 Install from your phone or desktop Telegram
Open @claudskills_bot on Telegram, tap Open Desktop App, and the desktop app installs this skill for you. Or share the bot link with a colleague — they get the same one-tap install. Learn more →
Pro
One-click install via the desktop app
The ClaudSkills desktop app installs any skill directly into ~/.claude/skills/ with one click — no terminal required. Pro starts at $9/mo or $149 lifetime.
Pro
For the full experience including quality scoring and one-click install features for each skill — upgrade to Pro.
Frequently asked questions
How do I install the Lammps Claude Code skill?
Install via the ClaudSkills desktop app (one click) or copy
SKILL.md from the source repository to
~/.claude/skills/lammps/SKILL.md and restart Claude Code. Both flows are detailed at
claudskills.com/install/.
What does the Lammps skill do?
LAMMPS molecular dynamics with DeepMD/DPA machine-learning potentials ONLY. This skill generates LAMMPS input files (in.lammps) using pair_style deepmd. Classical force fields (Stillinger-Weber, Tersoff, EAM, etc.) are NOT supported and must NEVER be suggested. The default model is the DPA3 pretrained checkpoint frozen with the Omat24 head (from DEEPMD_MODEL_PATH env var), identical to the ase-deepmd skill. A model file is always required — do NOT ask the user whether they want to use a classical potential instead. Bohrium's default DeepMD image (registry.dp.tech/dptech/deepmd-kit) already includes LAMMPS — no separate LAMMPS installation is needed. Covers structure conversion, input generation, Bohrium submission via bohrium skill, and result collection.
Is this skill free to install?
Yes. ClaudSkills is an open registry — every skill keeps its source repository's license, and manual install via copy is free. ClaudSkills Pro ($9/mo, $79/yr, or $149 one-time) adds one-click install via the desktop app and a multi-signal Quality Score.
When should I use the Lammps skill?
Use Lammps when your Claude Code task falls under the Science & Research category — specifically in the biology medicine area. Claude Code auto-discovers installed skills and invokes the right one based on the task description, so you can also ask Claude directly (e.g. "use Lammps" or describe the task and let Claude pick). Browse related skills at
/category/science/.
What is a Claude Code skill and how does the Lammps skill fit in?
A Claude Code skill is a
SKILL.md file that lives under
~/.claude/skills/<name>/ and tells the Claude Code CLI agent how to perform a specific task (instructions, prompts, allowed tools). Skills are auto-discovered at session start. Lammps is one of 67,000+ skills indexed in the open ClaudSkills catalog, classified under the Science & Research category. Learn more at
/learn/what-is-a-claude-skill/.
Attribution & license
Cite this skill
If you reference this skill in a blog post, paper, or documentation, you can cite it as:
APA
nlz25. (2026). Lammps [Claude Code skill]. ClaudSkills. https://claudskills.com/skills/lammps/
BibTeX
@misc{lammps-2026,
author = {nlz25},
title = {Lammps [Claude Code skill]},
year = {2026},
publisher = {ClaudSkills},
url = {https://claudskills.com/skills/lammps/}
}Embed this skill
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