# Activate the extension
%load_ext chemlab.ipython

# Imports
from chemlab.db import CirDB
from chemlab.core import random_lattice_box
from chemlab.molsim.analysis import rdf # The path of this function may change in future releases

ar = CirDB().get("molecule", 'Ar')
ar

# Let's make a random box

s = random_lattice_box([ar], [1000], [4.0, 4.0, 4.0])
s

# Let's calculate the radial distribution function
help(rdf)

# We can seamlessly combine chemlab with ipython plotting
x, y = rdf(s.r_array, s.r_array, periodic=s.box_vectors)

plot(x, y)