maliksagar96 / Lennard-Jones-Simulation

This repository contains Lennard Jones potential/force simulation of 600 particles from basic force, velocity and position calculation all the way up to post equilibrium data analysis and plotting.

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Lennard-Jones-Simulation

This file contains basic code in fortran for Lennard Jones potential simulation. This type of project is usually first in the line of learning molecular dynamics. So this is my first molecular dynamics simulation code. Lennard jones potential has been simulated in this project.

Code is written quite straight forward and is well structured. Anyone can go through it if having any trouble regarding lennard jones potential. I have also added the .dat files for 20,000 simulations. You can plot these dat files and see the average KE, PE and TE(total energy) of the system yourself. I had many problems regarding the simulation and debugging so I have written it as simple and as structured as possible.

This might be fortran code but it is easy to understand to anyone who know atleast one other language such as C or Python.

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This repository contains Lennard Jones potential/force simulation of 600 particles from basic force, velocity and position calculation all the way up to post equilibrium data analysis and plotting.


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