A Molecular Dynamcis simulation using Lennard-Jones potential. The code is based on the book "Understanding Molecular Simulation, Frenkel et al" which I uploaded on the repo for convenience. Specifically, on CH 4 of the book.
- Verlet list to have efficient short range molecular interactions
- Radial distribution function
When the particles get "too close" to each other, the system "explodes". I've been working on it for an embarrassing number of hours but didn't manage to solve it. The code in the current state is therefore incomplete. The total energy should be pretty much constant and the total moment should be close to zero. However, for long time iterations these quantities are not preserved.