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# fmt: off
"""Tests for legacy and modern NumPy PRNGs."""
import numpy as np
import pytest
from ase.build import bulk
from ase.calculators.emt import EMT
from ase.md import Andersen
from ase.units import fs
@pytest.fixture(name='atoms')
def _fixture_atoms():
atoms = bulk('Cu') * (2, 2, 2)
atoms.calc = EMT()
return atoms
@pytest.mark.parametrize(
'rng',
[np.random.RandomState(0), np.random.default_rng(42)],
)
def test_andersen(atoms, rng):
"""Test legacy and modern NumPy PRNGs for `Andersen`."""
with Andersen(
atoms,
timestep=1.0 / fs,
temperature_K=1000.0,
andersen_prob=0.01,
rng=rng,
) as md:
md.run(5)
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