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import pytest
from ase import Atoms
from mlip_arena.models import MLIPEnum
@pytest.mark.parametrize("model", MLIPEnum)
def test_calculate(model: MLIPEnum):
calc = MLIPEnum[model.name].value()
atoms = Atoms(
"OO",
positions=[[0, 0, 0], [1.5, 0, 0]],
cell=[10, 10 + 0.001, 10 + 0.002],
pbc=True,
)
atoms.calc = calc
print(atoms.get_potential_energy())
assert isinstance(atoms.get_potential_energy(), float)
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