/simplemd

A simple Lennard-Jones molecular dynamics software

Primary LanguageC++GNU General Public License v3.0GPL-3.0

DESCRIPTION

This is simplemd, a very simple molecular dynamics software
which can be used to simulate Lennard-Jones systems.

It has been written with the purpose of teaching molecular dynamics
and of being easily readable.

TREE

src/ source code along with a README file documenting input options
xyz/ sample input files
cpp/ c++ version of the code. this is the same code included in plumed2