diff --git a/tests/core/atoms/test_skzcam.py b/tests/core/atoms/test_skzcam.py index ce779afd95..afbaadd89f 100644 --- a/tests/core/atoms/test_skzcam.py +++ b/tests/core/atoms/test_skzcam.py @@ -1,7 +1,7 @@ from __future__ import annotations import gzip -import shutil +import os from copy import deepcopy from pathlib import Path @@ -11,7 +11,6 @@ from ase.calculators.calculator import compare_atoms from ase.io import read from numpy.testing import assert_allclose, assert_equal -import os from quacc.atoms.skzcam import ( CreateSKZCAMClusters, @@ -1197,7 +1196,7 @@ def test_CreateSKZCAMClusters_run_chemshell(skzcam_clusters, tmp_path): skzcam_clusters_nowrite = deepcopy(skzcam_clusters) skzcam_clusters_nowrite.convert_slab_to_atoms() skzcam_clusters_nowrite.run_chemshell( - filepath= tmp_path / "ChemShell_Cluster.pun", + filepath=tmp_path / "ChemShell_Cluster.pun", chemsh_radius_active=5.0, chemsh_radius_cluster=10.0, write_xyz_file=False, @@ -1206,7 +1205,7 @@ def test_CreateSKZCAMClusters_run_chemshell(skzcam_clusters, tmp_path): skzcam_clusters.convert_slab_to_atoms() skzcam_clusters.run_chemshell( - filepath= tmp_path / "ChemShell_Cluster.pun", + filepath=tmp_path / "ChemShell_Cluster.pun", chemsh_radius_active=5.0, chemsh_radius_cluster=10.0, write_xyz_file=True,