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Meta Workflows

This section documents meta workflows in ReaxKit. Meta workflows do not analyze ReaxFF simulation data directly. Instead, they provide tooling, introspection, and orchestration utilities that help users explore, understand, and present ReaxKit’s capabilities.

They operate around analyses rather than on simulation data.

What makes a workflow “meta”

A meta workflow typically:

  • Does not require ReaxFF output files
  • Operates on ReaxKit’s internal structure, metadata, or user inputs
  • Improves usability, discoverability, or presentation
  • Exposes helper commands rather than scientific analyses

Available meta workflows

Common meta workflows include:

  • help
    Interactive and searchable help system for workflows, files, and variables.

  • introspection
    Programmatic inspection of available handlers, analyzers, workflows, and tasks.

  • plotter
    Generic plotting utilities for tabular data, independent of file origin.

  • make_video
    Assemble image frames or plots into videos or animations.

When to use meta workflows

Use meta workflows when you want to:

  • Discover what ReaxKit can do
  • Inspect available commands or analyses
  • Plot or visualize pre-existing data
  • Generate media outputs without running a full analysis

Meta workflows form the support and tooling layer of ReaxKit, making the rest of the toolkit easier to explore and use.