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def test_main():
import numpy as np
from ase.build import bulk
from ase.constraints import FixScaled
from ase.calculators.emt import EMT
a = bulk("Ni", cubic=True)
a.calc = EMT()
pos = a.get_positions()
a.set_constraint(
FixScaled(
a.cell,
0,
)
)
a.set_positions(
pos * 1.01
)
assert np.sum(np.abs(a.get_forces()[0])) < 1e-12
assert np.sum(np.abs(a.get_positions() - pos)[0]) < 1e-12
assert np.sum(np.abs(a.get_positions() - pos*1.01)[1:].flatten()) < 1e-12
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