GES-comp-echem User Guide

Version: 0.3.2

This is the user guide for the GES-comp-echem Python library. The philosophy of this software package is to provide a simple interface for carrying out calculations with a number of computational chemistry programs.

Getting started 💡

A quick tour covering the library installation and some basic operation.

User guide 📑

A general “hands-on” description of the features available in the library.

API reference 🔎

A detailed collection of all the objects and features implemented in the library

Contributor’s guide 🖥️

A short guide for all the developers that want to contribute to the libray