Molecular Dynamics Simulation of Simple Particles

This package performs molecular dynamics simulation using truncated and shifted Lennard-Jones potential along with velocity Verlet algorithm.

This was for a university project in 2011.

Usage

Installation

# in <root>/
git clone https://github.com/mm318/molecular-dynamics-simulation.git

Build

# from <root>/
mkdir build
cd build
cmake ../molecular-dynamics-simulation
make

Run

Usage:

mdsim_2d <dt> <num steps> <run name> [output png prefix]
mdsim_3d <dt> <num steps> <run name> [output png prefix]

Example:

mdsim_2d 0.001 100 example_run example_run_2d
mdsim_3d 0.001 100 example_run example_run_3d

2D run visualization:

3D run visualization:

Requirements

Tested on Ubuntu 20.04.

Dependencies

• thr_pool
• libpng - The zlib/libpng License
• zlib - The zlib/libpng License