lammps-md

lammps-md is a skill for Claude Code, Codex from xjtulyc/awesome-rosetta-skills. It costs 49 tokens per session (6,531 once invoked), scanned A, original, no licence file.

A toolkit for classical molecular dynamics, a method that simulates how atoms move over time using specified interaction rules. It uses LAMMPS and covers force fields, temperature and pressure settings, analysis, and OVITO visualization.

In plain words
What is it for?
Use it to choose Lennard-Jones, EAM, or CHARMM force fields, run NVT or NPT simulations, calculate radial distribution functions and mean squared displacement, and inspect results in OVITO.
Why use it?
It helps set up atom-level simulations consistently and turn their output into measurements and visualizations.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Good fit Use it to choose Lennard-Jones, EAM, or CHARMM force fields, run NVT or NPT simulations, calculate radial distribution functions and mean squared displacement, and inspect results in OVITO.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/xjtulyc/awesome-rosetta-skills/lammps-md
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add xjtulyc/awesome-rosetta-skills --skill lammps-md
Clone the repo
git clone --depth 1 https://github.com/xjtulyc/awesome-rosetta-skills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for lammps-md

README.md
[![agentmods](https://agentmods.dev/badge/skills/xjtulyc/awesome-rosetta-skills/lammps-md/github.svg)](https://agentmods.dev/skills/xjtulyc/awesome-rosetta-skills/lammps-md)
Your own site
<a href="https://agentmods.dev/skills/xjtulyc/awesome-rosetta-skills/lammps-md"><img src="https://agentmods.dev/badge/skills/xjtulyc/awesome-rosetta-skills/lammps-md/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for lammps-md

Your own site · 80×15
<a href="https://agentmods.dev/skills/xjtulyc/awesome-rosetta-skills/lammps-md"><img src="https://agentmods.dev/badge/skills/xjtulyc/awesome-rosetta-skills/lammps-md.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 49 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 6,531 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 1 finding. A grade says what 26 rules found in the file — not that it is safe.
Origin unknown No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00049 $0.06531
Opus 5 $0.00024 $0.03266
Sonnet 5 $0.00010 $0.01306
Haiku 4.5 $0.00005 $0.00653

Measured 11d ago against content hash 82ef9fd062ef, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-11, from the pricing page.

Security

Grade A, and why

lammps-md scanned grade A with 1 finding against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 11d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Runs shell commandslowCapability

Expected in a hook, worth knowing in a rule or an instructions file.

result = subprocess.run(
skills/01-physics/lammps-md/SKILL.md · 759 lines

The source is not reproduced here

A licence we could not identify

The repository carries a LICENSE file, but it is custom or dual enough that GitHub cannot name it and neither can this catalogue. Unknown terms are not permission, so the body is not copied here. Read the licence at the source and decide for yourself.

Read it on GitHub

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 11d ago First seen · 759 lines · 49 tokens per session scan A 82ef9fd062ef

Subscribe to this mod's changes

lammps-md is a skill published in the GitHub repository xjtulyc/awesome-rosetta-skills (34 stars, last pushed 5mo ago), with no licence file. It adds 49 tokens to every session and 6,531 once invoked, about $0.0002 per session on Opus 5. A static security scan graded it A with 1 finding (runs shell commands). No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

Related

Other skills, from other repositories

lammps-workflows

Use when the task involves LAMMPS atomistic simulation workflows, including input script creation, minimize, NVT, NPT, and restart setups, force-field and data-file checks, log.lammps review, restart handling, and scheduler scripts.

chatmaterials/lammps-workflows · 57 tokens

physicsnemo-discover

Official NVIDIA-authored guidance for navigating PhysicsNeMo — pick the model, datapipe, or example for a SciML/AI4Science task (surrogates, forecasting, downscaling, physics-informed, inverse, generative). Points at existing files via live repo search; never writes code. Do NOT use for installation or environment…

NVIDIA/physicsnemo · 124 tokens

fenics-fem

Use this Skill to solve PDEs with the finite element method using FEniCS/dolfinx: weak form formulation, mesh generation with gmsh, Poisson/elasticity problems, boundary conditions, and paraview export.

Cai-aa/CAE-Agent-Hub · 53 tokens

evaluating-cosmos-policy

Evaluates NVIDIA Cosmos Policy on LIBERO and RoboCasa simulation environments. Use when setting up cosmos-policy for robot manipulation evaluation, running headless GPU evaluations with EGL rendering, or profiling inference latency on cluster or local GPU machines.

Orchestra-Research/AI-Research-SKILLs · 51 tokens

physics-units-si

SI units, CODATA constants, dimensional analysis, and rigorous unit conversion. Use when extracting, normalizing, or computing physical quantities (energy, frequency, length, mass, time, temperature). Handles eV/keV/MeV/GeV/TeV, Hz/kHz/MHz/GHz/THz, meter/cm/Å/fm, kg/g/u, second/ms/μs/ns/fs, Kelvin/eV-temperature…

LuuOW/meridian-mcp · 96 tokens

arxiv-search

Search arXiv physics, math, and computer science preprints using natural language queries. Powered by Valyu semantic search.

FreedomIntelligence/OpenClaw-Medical-Skills · 29 tokens