Kopple2 Generator Engine Utility

ReaxFF kopple2 file generation utilities.

This module provides deterministic helpers for generating or writing a default ReaxFF kopple2 input file from a canonical 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: Kopple2GeneratorSpec

Represent Kopple2GeneratorSpec.

Public class used by ReaxFF generator components.

Fields

template_text : str Dataclass field.

Function: gen_template_kopple2

Gen template kopple2.

Parameters:

Name	Type	Description	Default
out_path	str | Path	Input parameter.	'kopple2'
spec	Kopple2GeneratorSpec	Input parameter.	DEFAULT_KOPPLE2_SPEC

Returns:

Type	Description
Path	Return value.

Examples:

# Example
gen_template_kopple2(...)