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Lammps analysis

Skill chatmaterials/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.From its SKILL.md

Install
npx -y skills add chatmaterials/lammps-analysis

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

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SKILL.md

1.0 KB, 167 tokens by cl100k_base, as published. Nobody here has run it

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.

What ships with it: 16 files

7.5 KB alongside SKILL.md, 3 of them executable

agents/

fixtures/

scripts/

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