Params Workflow

Direct command workflow for optimization-parameter analysis.

This module implements CLI workflow orchestration for its command family, including argument parsing, request construction, execution dispatch, and result presentation handoff.

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: get-params

Load optimization-parameter definitions from params. This command can return raw parameter rows or interpreted mappings into ffield when pointer interpretation is enabled.

Examples

---

  1. Export raw parameters:
   reaxkit get-params --export params.csv

  2. Interpret parameter pointers using force-field file and export:
   reaxkit get-params --interpret --ffield ffield --export params_interpreted.csv

  3. Plot parameter search intervals:
   reaxkit get-params --plot single

Arguments

Flag	Required	Default	Help	Choices
--keep-duplicates	No		Do not drop duplicate parameter rows. Example: --keep-duplicates, which keeps repeated rows exactly as found in input.
--interpret	No		Interpret params pointers into the ffield. Example: --interpret, which resolves pointer-style entries to force-field context.
--ffield	No		Path to ffield file required for --interpret. Example: --ffield ffield, which provides force-field content used for pointer interpretation.

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.

Flag	Required	Default	Help	Choices
--engine	No		Engine override. Example: --engine reaxff, which applies ReaxFF parsing/loading behavior.	reaxff, ams, lammps
--input	No	.	Input file or directory for engine resolution. Example: --input runs/job1, which sets the lookup context for files.
--run-dir, --dir	No	.	Run directory fallback for engine detection. Example: --run-dir runs/job1, which acts as backup resolution path.
--params, --file	No	params	Path to params file. Example: --params params, which reads optimization parameter definitions from that file.
--log	No		Logging level. Example: --log verbose, which prints more runtime details.	verbose, quiet
--run-id	No		Run identifier for run-scoped layout (e.g., run_91ac0e).
--project-root	No		Project root that contains inputs/, data/, analysis/, etc.
--analysis-id	No		Optional analysis artifact id; defaults to run id.
--plot	No		Render a plot. Example: --plot single, which draws one combined chart.	single, subplot
--show	No		Show the generated plot window. Example: --show, which opens the plot interactively.
--save	No		Save the generated plot to a file path. Example: --save params.png, which writes the figure image.
--export	No		Write the result table to CSV. Example: --export params.csv, which saves tabular output.
--grid	No		Subplot grid like 2x2 or 2*2. Example: --grid 2x2, which arranges subplot panels in a 2-by-2 layout.
--xaxis	No	ff_section_line	Quantity on x-axis. Example: --xaxis ff_parameter, which uses parameter-id/name style values on the horizontal axis.	ff_section_line, ff_parameter