2D lennard jones simulation

solution2.py

import numpy
import random

from numba import double   # Add this
from numba.decorators import autojit, jit # Add this

#@jit(argtypes=[double[:], double[:]]) # Add this if you want more speed than autojit
@autojit # Add this
def calc_energy_and_gradient(X, Y):
    """ Calculate the Lennard-Jones energy and
        Energy gradient between particles.
        X and Y are lists containing x and y
        coordinates, respectively.
    """

    [ code here ]

    return energy, gradient


n_particles = 16

# Initialize particle coordinates and velocities
X = numpy.array([random.random() for i in range(n_particles)])
Y = numpy.array([random.random() for i in range(n_particles)])


# Calculate initial energy and gradient
for n in range(10000):
    energy, gradient = calc_energy_and_gradient(X, Y)