# SimpleMD

A molecular dynamics code for a Lennard-Jones system. 

The purpose here is to provide a basic molecular dynamics code base written in fairly plain Python and standard libraries. The code is used as part of a module on molecular thermodyanmics in the University of Delaware Chemical Engineering Thermodynamics I course honors section. Students use it explore the basic concepts of molecular simulations and molecular processes in thermodynamics. 

It is not a high performance simulation. Those seeking modern simulation tools should use LAMMPS or other powerful packages.

See the accompanying manual, *Really Simple Molecular Dyanmics with Python* for instructions on getting started and exercises to try with the code.
