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# fmt: off
import pytest
from ase.build import molecule
from ase.mep import NEB, idpp_interpolate
# I think idpp uses an optimizer;
# at the very least how an optimizer is called during this test
@pytest.mark.optimize()
def test_idpp(testdir):
initial = molecule('C2H6')
final = initial.copy()
final.positions[2:5] = initial.positions[[3, 4, 2]]
images = [initial]
for _ in range(5):
images.append(initial.copy())
images.append(final)
neb = NEB(images)
d0 = images[3].get_distance(2, 3)
neb.interpolate()
d1 = images[3].get_distance(2, 3)
idpp_interpolate(neb, fmax=0.005)
d2 = images[3].get_distance(2, 3)
print(d0, d1, d2)
assert abs(d2 - 1.74) < 0.01
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