Molecular Modeling of self-diffusion of Methane gas'

1. Implements Numba for fast Hamiltonian transformations
2. Implements three coupled Nose-Hoover thermostats for mimicking an infinite thermal bath
3. Use the Time Reversible Velocity Verlet for position (coordinate) update.
4. Contains scripts to convert the coordinate list into .xyz or .lammps format for VMD based visualizations.