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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Sep 17, 2023
1 parent 876105d commit d8b58ed
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion source/lmp/tests/test_deeptensor.py
Original file line number Diff line number Diff line change
Expand Up @@ -155,6 +155,7 @@ def test_compute_deeptensor_atom(lammps):
expected_d[idx_map]
)


def test_compute_deeptensor_atom_si(lammps_si):
lammps_si.pair_style(f"deepmd {pb_file.resolve()}")
lammps_si.pair_coeff("* *")
Expand All @@ -165,4 +166,4 @@ def test_compute_deeptensor_atom_si(lammps_si):
idx_map = lammps_si.lmp.numpy.extract_atom("id") - 1
assert np.array(lammps_si.variables["tensor"].value) == pytest.approx(
expected_d[idx_map] * constants.dist_metal2si
)
)

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