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.pySummarize a single LAMMPS result directory.scripts/compare_lammps_results.pyCompare 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.