/usr/share/pyshared/ase/test/pull.py is in python-ase 3.6.0.2515-1.1.
This file is owned by root:root, with mode 0o644.
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1 2 3 4 5 6 7 8 9 10 | import numpy as np
from ase import Atoms
from ase.calculators.emt import EMT
from ase.io import PickleTrajectory
Cu = Atoms('Cu', pbc=(1, 0, 0), calculator=EMT())
traj = PickleTrajectory('Cu.traj', 'w')
for a in np.linspace(2.0, 4.0, 20):
Cu.set_cell([a, 1, 1], scale_atoms=True)
traj.write(Cu)
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