tnorthey

import numpy as np

def read_xyz(self, fname):
    """Read a .xyz file"""
    with open(fname, "r") as xyzfile:
        xyzheader = int(xyzfile.readline())
        comment = xyzfile.readline()
    xyzmatrix = np.loadtxt(fname, skiprows=2, usecols=[1, 2, 3])
    atomarray = np.loadtxt(fname, skiprows=2, dtype=str, usecols=[0])
    return xyzheader, comment, atomarray, xyzmatrix