smithery/taoeli

mxl-postprocess

This skill should be used when users need to extract, export, and plot MaxwellLink outputs from molecules and EM solvers (e.g., `additional_data_history`, cavity histories, spectra helpers).

Installation

$ npx skills add smithery/taoeli --skill mxl-postprocess

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More details

Agent compatibility

Declared targets from SKILL.md / docs. Unmarked agents are not listed — the skill may still install via the CLI.

Claude Code Not declared
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Windsurf Not declared
Gemini CLI Not declared
Cline Not declared
OpenCode Not declared

Package contents

Files included with this skill beyond the listing page.

  • skill md SKILL.md 1,107 B
  • docs SUMMARY.md 213 B

History

  1. First recorded snapshot · 0 installs

SKILL.md

Post-processing and export

Collect molecular diagnostics

  • Read per-molecule diagnostics from molecule.additionaldatahistory (list of dicts).
  • Convert to arrays by extracting keys (timeau, muxau, Pe, energy_au, ...).

Collect solver histories (when enabled)

  • For SingleModeSimulation(recordhistory=True), use sim.timehistory, qchistory, pchistory, and moleculeresponsehistory.
  • For LaserDrivenSimulation(recordhistory=True), use sim.timehistory, drivehistory, and moleculeresponse_history.

Export

  • Write CSV/NPZ from the collected arrays for reproducibility and downstream plotting.
  • Keep the export code inside the project folder so it travels with inputs.

References

  • Snippets: skills/mxl-postprocess/references/postprocessing.md
  • Tools: src/maxwelllink/tools/ (pulse helpers and spectra utilities)