Help Workflow
Interactive help and discovery workflow for ReaxKit.
This workflow supports two complementary help modes: 1) capability discovery (intent -> responsible analysis tasks/workflows/generators) 2) ReaxFF file discovery (query -> relevant input/output files)
Usage context
- Command routing: Resolve CLI aliases and normalized command names.
- Task execution: Build request objects and invoke registered tasks.
- Output handling: Forward results to table, plot, export, or report flows.
Command: help
Interactive help and discovery for ReaxKit commands, capabilities, and file semantics. Use this command to search ReaxKit concepts (for example analyses or generators) and ReaxFF-related files by keyword. You can narrow results, enforce exact matching, and request detailed mapping information.
For more information, you can see: ReaxKit code: https://github.com/ali-m-dinani/reaxkit ReaxFF documentation: https://ali-m-dinani.github.io/reaxkit/
Examples
1. Basic keyword search:
reaxkit help "msd"
2. Search with multi-word phrase:
reaxkit help "bond order"
3. Limit result count:
reaxkit help "bond order" --top 3
4. Search with explicit engine context:
reaxkit help "restraint" --engine reaxff
5. Show detailed mapping information:
reaxkit help "fort.7" --all-info
reaxkit help "xmolout" --all-info
Arguments
Input and file selection
| Flag | Required | Default | Help | Choices |
|---|---|---|---|---|
query |
No | Search query (use quotes for multi-word queries). Example: "bond order", which searches that phrase across help index entries. | ||
--engine |
No | Optional engine context for dataclass-to-file mappings. Example: --engine reaxff, which resolves relationships using ReaxFF context. | ||
--exact-match |
No | False | Match query exactly against item title (and aliases) before returning results. Example: --exact-match, which avoids broad fuzzy matches. |
Outputs and plots
| Flag | Required | Default | Help | Choices |
|---|---|---|---|---|
--top |
No | 1 | Maximum results per category (generator/file/analyzer/workflow), sorted by score. Example: --top 3, which returns only the top 3 hits per category. | |
--all-info |
No | False | Show detailed implementation and file/dataclass/analyzer mapping information. Example: --all-info, which expands output beyond summary hits. | |
--detail-format |
No | Optional detail format (default: Parquet; legacy: CSV). | parquet, csv |
Execution
| Flag | Required | Default | Help | Choices |
|---|---|---|---|---|
--execution |
No | auto | Execution backend; unsupported backends fall back to serial with a logged reason. | auto, serial, threads, processes |
--workers |
No | 0 | Frame workers: auto or N (default: auto). | |
--chunk-size |
No | 0 | Maximum in-flight frames: auto or N. |
Storage and cache
| Flag | Required | Default | Help | Choices |
|---|---|---|---|---|
--output-profile |
No | standard | Artifact profile (default: standard). | standard, minimal, full, legacy |
Diagnostics and compatibility
| Flag | Required | Default | Help | Choices |
|---|---|---|---|---|
-h, --help |
No | show this help message and exit | ||
--help-all, --all-flags |
No | Show every option, grouped by purpose. |
Common Runtime and Presentation Arguments
These are shared workflow-level CLI flags added before command-specific options, covering runtime context (engine/input/storage) and output presentation/export behavior.
Each command table above includes its shared and inherited options.