Control Generator Engine Utility

ReaxFF control file generation utilities.

This module provides deterministic helpers for generating or writing a default ReaxFF control input file from a canonical, aligned template.

Usage context

• Template generation: Produce canonical text payloads for ReaxFF artifacts.
• File writing: Persist generated outputs to disk with stable formatting.
• Workflow integration: Support higher-level ReaxKit workflow commands.

Class: ControlGeneratorSpec

Represent ControlGeneratorSpec.

Public class used by ReaxFF generator components.

Fields

template_text : str Dataclass field.

Function: gen_control

Gen control.

Parameters:

Name	Type	Description	Default
out_path	str | Path	Input parameter.	'control'
spec	ControlGeneratorSpec	Input parameter.	DEFAULT_CONTROL_SPEC
overrides	dict[str, Any] | None	Input parameter.	None

Returns:

Type	Description
Path	Return value.

Examples:

# Example
gen_control(...)