Velocity Verlet Algorithm

Implementation of Velocity Verlet Algorithm from Lennard Jonnes System in 3D.
This algorithm used to calculate trajectories of particles in molecular dynamics simulations and computer graphics.

    The main file is <vvt.cpp>.

To run:

    After compiling <vtt.cpp> file, from cmd or the terminal enter <vtt.exe atoms.xyz>

Or: if you are using Windows OS, after compiling <vtt.cpp>, you will find A Batch file <Run_vtt.bat> this will run the program directlly where input parameters are listed in the file "atoms.xyz", the first number in the file is the number of atoms or particles and each line is the initial position vectors xyz of each atom.

Inputs:

There is an input file <input.txt>, this file contains the simulation parammeters.

Trajectories and the simulation visualization.

    You can runthe produced trajectory file by using OVITTO MD program.

Author:

Maged Shaban
maged.shaban[at]mathmods.eu
Gdansk University of Technology, February 2, 2017.