General

PyFrag Plotter is a Python package developed by the TheoCheM group (https://www.theochem.nl/) for plotting data from PyFrag calculations. PyFrag is a program for performing Energy Decomposition Analysis (EDA) and Activation Strain Model (ASM) calculations on molecular systems.

The package provides a set of functions for visualizing the results of PyFrag calculations, including orbital overlaps, populations, energies, and Voronoi Deformation Densities. The package is designed to be easy to use and flexible, allowing users to customize their plots to meet their specific needs.

It is meant for researchers being active in quantum chemistry that uses the AMS module.