GMTHRASHpy: Forward Convolutions of Crossed Molecular Beams Experiments in Python

Abstract

We introduce GMTHRASHpy, a Python-based application to do forward convolution fits of crossed molecular beams experiments. The code is designed to be easy-to-use and widely-available, so as to be of value to anyone wanting to reproduce data or fits from these experiments. GMTHRASHpy has been benchmarked to replicate the original GMTHRASH executable for a wide variety of published reactions. The inputs and algorithm guiding it are explained. The code is open-source and can be downloaded at: github.com/kaka-zuumi/GMTHRASH. It can be installed with pip as gmthrash.