A simple implementation of Metropolis Monte Carlo (MC) simulations and Molecular Dynamics (MD) simulations for Lennard-Jones (LJ) particles
An example can be found at example.ipynb
.
Potential energies of MC simulations for 50 LJ particles as a function of steps:
Potential energies, kinetic energies, and total energies of MD simulations for 50 LJ particles as a function of steps:
Copyright (c) 2021, Liangyue (Willa) Wang
Project based on the Computational Molecular Science Python Cookiecutter version 1.5.