The goal is to reproduce Rahman's paper "Correlations in the Motion of Atoms in Liquid Argon" (doi:10.1103/PhysRev.136.A405) with this Python code. The system is consists of 864 particles interacting with a Lennard-Jones potential. The properties such as mean square displacement and velocity auto-correlation function can be computed and compared to the paper.
Copyright (c) 2018, Yushan Zhang
Project based on the Computational Chemistry Python Cookiecutter Pep8 format created through YAPF