From fc667cd79ffc13af2277ad1608128c9f0944312d Mon Sep 17 00:00:00 2001 From: Rasha Atwi Date: Thu, 7 Mar 2024 16:49:26 -0500 Subject: [PATCH] Update cluster_analysis pytest --- tests/structural/test_cluster_analysis.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/structural/test_cluster_analysis.py b/tests/structural/test_cluster_analysis.py index 2a21bdb..ca777fc 100644 --- a/tests/structural/test_cluster_analysis.py +++ b/tests/structural/test_cluster_analysis.py @@ -79,6 +79,7 @@ def test_get_unique_configurations(self, benchmark, load_molecules): cluster_pattern="Cluster_*.xyz", r_cut=self.r_cut, molecules=load_molecules, + mol_num=2, type_coord_atoms=["O", "N", "Mg"], working_dir=self.working_dir, find_top=True,