lammps-deepmd

lammps-deepmd is a skill for Claude Code, Codex from jinzhezenggroup/computational-chemistry-agent-skills. It costs 99 tokens per session (2,934 once invoked), scanned A, original, LGPL-3.0.

A tool and reference guide for running molecular dynamics simulations in LAMMPS with the DeePMD-kit plugin. Molecular dynamics simulates how atoms move over time, while LAMMPS is software for running those simulations.

In plain words
What is it for?
Use it to prepare LAMMPS input scripts, select NVE, NVT, or NPT simulation ensembles, and run DeePMD-kit molecular dynamics jobs.
Why use it?
It helps prepare the required simulation inputs and choose how the system should evolve. It also supports running jobs through uv or offline binaries.

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 prepare LAMMPS input scripts, select NVE, NVT, or NPT simulation ensembles, and run DeePMD-kit molecular dynamics jobs.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd
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 jinzhezenggroup/computational-chemistry-agent-skills --skill lammps-deepmd
Clone the repo
git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-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-deepmd

README.md
[![agentmods](https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd/github.svg)](https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd)
Your own site
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd/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-deepmd

Your own site · 80×15
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/lammps-deepmd.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 99 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,934 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. 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 $0.00099 $0.02934
Opus 5 $0.00049 $0.01467
Sonnet 5 $0.00020 $0.00587
Haiku 4.5 $0.00010 $0.00293

Measured 13d ago against content hash 10665d7188c4, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

lammps-deepmd scanned grade A with 0 findings 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 13d 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.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

molecular-dynamics/lammps-deepmd/SKILL.md · 324 lines

The source is not reproduced here

Licensed LGPL-3.0

The repository is licensed LGPL-3.0, which this catalogue does not treat as permission to reproduce the file. Read it at the source.

Read it on GitHub

Files

What ships with it

2 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

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. 13d ago First seen · 324 lines · 99 tokens per session scan A 10665d7188c4

Subscribe to this mod's changes

lammps-deepmd is a skill published in the GitHub repository jinzhezenggroup/computational-chemistry-agent-skills (138 stars, last pushed today), licensed LGPL-3.0. It adds 99 tokens to every session and 2,934 once invoked, about $0.0005 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.