aiida_orca.utils package

Submodules

aiida_orca.utils.input_generator module

Functions for rendering ORCA input files

aiida_orca.utils.input_generator.render_orca_input(params: dict) → str[source]

Rendering ORCA input file. The only thing missing is the coordinate section.

Args:

params (dict): Input parameters

Returns:

str: Input file as a single string

Module contents

AiiDA-ORCA Plugin utils