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"""Tests for MLP SSCHA."""
import pathlib
import pytest
from phonopy import Phonopy
from phonopy.interface.mlp import PhonopyMLP
from phonopy.sscha.core import MLPSSCHA
cwd = pathlib.Path(__file__).parent
def test_MLPSSCHA(ph_kcl: Phonopy):
"""Test MLPSSCHA class."""
pytest.importorskip("pypolymlp")
mlp = PhonopyMLP().load(cwd / ".." / "polymlp_KCL-120.yaml")
sscha = MLPSSCHA(
ph_kcl,
mlp,
number_of_snapshots=2,
max_iterations=2,
temperature=300,
log_level=2,
)
sscha.run()
sscha = MLPSSCHA(
ph_kcl,
mlp,
number_of_snapshots=2,
max_iterations=2,
temperature=300,
log_level=1,
)
count = 0
for i, _ in enumerate(sscha):
count = i
assert count == 2
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