# Lammps Analysis

> Use when the task is to analyze completed or failed LAMMPS simulations, including thermo extraction, run-status interpretation, comparing multiple log.lammps outputs, and summarizing restart or force-field issues from finished runs.

- Skill: `chatmaterials/lammps-analysis` (Agent Skill, multi-file: 4 files)
- Install (CLI): `npx skillmds@latest add chatmaterials/lammps-analysis`
- Raw SKILL.md: https://api.skillmd.com/api/skills/chatmaterials/lammps-analysis/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Productivity
- Author: chatmaterials (https://skillmd.com/u/chatmaterials)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/chatmaterials/lammps-analysis

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# LAMMPS Analysis

Use this skill for post-run LAMMPS result analysis rather than workflow setup.

## When to use

- analyze a completed or failed LAMMPS run
- compare thermo endpoints across multiple log files
- summarize NaN, error, or completion status from `log.lammps`
- write a compact report from existing LAMMPS results

## Use the bundled helpers

- `scripts/analyze_lammps_result.py`
  Summarize a single LAMMPS result directory.
- `scripts/compare_lammps_results.py`
  Compare multiple LAMMPS result directories by last thermo values and status.

## Guardrails

- Do not treat NaN or error-ending logs as meaningful equilibrated results.
- Distinguish raw thermo extraction from scientific interpretation.