From 8575ba8603533cd209e46f927496977137b6e1a8 Mon Sep 17 00:00:00 2001 From: Eric Furst <86606193+emfurst@users.noreply.github.com> Date: Tue, 13 May 2025 13:06:11 +0800 Subject: [PATCH] Update README.md --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index e3f9911..904a1b6 100644 --- a/README.md +++ b/README.md @@ -2,8 +2,8 @@ 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. +The purpose here is to provide a basic molecular dynamics code base (`CHEG231MD.py`) 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. +See the accompanying manual, *Really Simple Molecular Dyanmics with Python* for instructions on getting started and exercises to try with the code. `MDsim.ipynb` is a Jupyter notebook used in the second section of the text.