/MDFromScratch

A simple molecular dynamics code in python

Primary LanguageJupyter Notebook

MDFromScratch

This is a simple MD code written in python (in jupyter notebook). It is currently setup to simulate water using (roughly) parameters that I got from the first source that came up on google. The code comes with no warranty and is not guaranteed to be bug free.

If you want to DO molecular dynamics simulations, just use LAMMPS or something. If you want a simple implementation to look at and go "hm.. ah... okay..." then this should suffice.