Gaussian Step#

Gaussian is a full-featured commerical quantum chemistry code. This step provides an interface to Gaussian exposing some of its functionality. Over time it will include most of the functionality in Gaussian. This interface is free open-source, licensed under the 3-term BSD license.

Getting Started

A simple introduction

To the Getting Started Guide

User Guide

A complete guide to using this step

To the User Guide

Developer Guide

Contributing to the code. Fixing bugs, adding functionality

To the Developer Guide

API Reference

The API for the Gaussian Step

To the API Reference.

More Information#