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Add lattice test for 0D systems
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Nathan committed Nov 2, 2023
1 parent cb160b5 commit e12f13f
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion tests/test_crystalparser.py
Original file line number Diff line number Diff line change
Expand Up @@ -258,7 +258,10 @@ def asserts_basic(archive, method_type="DFT", system_type="3D", vdw=None, forces
if system_type != "0D":
assert system.atoms.lattice_vectors is not None
assert system.atoms.lattice_vectors.shape == (3, 3)
assert system.atoms.periodic == [True, True, True]
assert system.atoms.periodic == [True] * 3
else:
assert system.atoms.lattice_vectors is None
assert system.atoms.periodic == [False] * 3
assert system.atoms.positions.shape[0] == n_atoms
assert system.atoms.species.shape[0] == n_atoms
assert len(system.atoms.labels) == n_atoms
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