ORCA Input Generator

Author:

Rohit Goswami

ORCA Input Generator

This tool generates a complete ORCA input file from a TOML configuration. It leverages the pychum library for templating and data structures.

Usage

.. command-output:: python -m rgpycrumbs.cli orca generate-orca-input –help

Reference

rgpycrumbs.orca.generate_orca_input.