Help Workflow

CLI namespace: reaxkit help <task> [flags]

Interactive help and discovery workflow for ReaxKit.

This workflow provides a search-based help system that maps conceptual, human-language queries (e.g. "electric field", "restraint", "bond order") to relevant ReaxFF input and output files.

It operates as a kind-level command (reaxkit help) rather than a task-based workflow, and therefore does not define subcommands. Instead, it queries curated help indices and ranks matches based on relevance.

Optional flags allow users to inspect why a file matched, view example ReaxKit commands, and explore core, optional, and derived variables associated with each file.

Available tasks

Usage

reaxkit help <args>

Behavior

Run the reaxkit help command.

Behavior:
-----------
- If no query is provided, prints a short usage message and exits.
- If a query is provided, searches curated help indices and prints ranked matches.
- Use `--top` and `--min-score` to control result count and filtering.
- Use detail flags (`--why`, `--file_templates`, `--tags`, `--core-vars`, `--optional-vars`,
  `--derived-vars`, `--notes`) to expand what is shown per match.
- `--all-info` enables all detail flags together.

Examples
-----------
reaxkit help 'restraint'
reaxkit help 'electric field'

Options

Flag	Description
-h, --help	show this help message and exit
--top TOP	Maximum number of matches to display.
--min-score MIN_SCORE	Minimum score threshold; lower-scoring matches are hidden.
--why	Show why each file matched the query.
--file_templates	Show one example ReaxKit command per match.
--tags	Show tags for each match.
--core-vars	Show core variables for each match.
--optional-vars	Show optional variables.
--derived-vars	Show derived variables.
--notes	Show notes for each match.
--all-info	Show why/file_templates/tags/core/optional/derived/notes all at once.