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# fmt: off
from ase import io
from ase.calculators.singlepoint import SinglePointDFTCalculator
def test_read_gpaw_out(datadir):
"""Test reading of gpaw text output"""
# read input
output_file_name = datadir / 'gpaw_expected_text_output'
atoms = io.read(output_file_name)
# test calculator
calc = atoms.calc
assert isinstance(calc, SinglePointDFTCalculator)
assert calc.name == 'vdwtkatchenko09prl'
assert calc.parameters['calculator'] == 'gpaw'
for contribution in [
'kinetic', 'potential', 'external', 'xc',
'entropy (-st)', 'local']:
assert contribution in calc.energy_contributions
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