/usr/share/pyshared/ase/io/cmdft.py is in python-ase 3.6.0.2515-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 | from math import pi, cos, sin, sqrt, acos
import numpy as np
from ase.atom import Atom
from ase.atoms import Atoms
from ase.parallel import paropen
from ase.units import Bohr
def read_I_info(fileobj, index=-1):
if isinstance(fileobj, str):
fileobj = open(fileobj)
lines = fileobj.readlines()
del lines[0]
finished = False
s = Atoms()
while not finished:
w = lines.pop(0).split()
if w[0].startswith('"'):
position = Bohr * np.array([float(w[3]), float(w[4]), float(w[5])])
s.append(Atom(w[0].replace('"',''), position))
else:
finished = True
return s
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