Common neighbor analysis

pyscal can also perform common neighbor analysis. As usual we start by creating the structures.

from pyscal3 import System
import matplotlib.pyplot as plt
import numpy as np

fcc = System.create.lattice.fcc(lattice_constant=4, repetitions=[4,4,4])
bcc = System.create.lattice.bcc(lattice_constant=4, repetitions=[4,4,4])
hcp = System.create.lattice.hcp(lattice_constant=4, repetitions=[4,4,4])

There are two flavors of CNA possible. The first one is regular CNA.

fcc.analyze.common_neighbor_analysis(lattice_constant=4)

{'others': 0, 'fcc': 256, 'hcp': 0, 'bcc': 0, 'ico': 0}

fcc.show.continuous_property(fcc.atoms.structure)