From 4c7aeb7ee5a79ae0953c531ee91ac38b4ddf7f6a Mon Sep 17 00:00:00 2001 From: Kamal Choudhary Date: Fri, 19 Jul 2024 09:32:40 -0400 Subject: [PATCH] Update surface.py --- jarvis/analysis/defects/surface.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/jarvis/analysis/defects/surface.py b/jarvis/analysis/defects/surface.py index 224e9f0f..99996204 100644 --- a/jarvis/analysis/defects/surface.py +++ b/jarvis/analysis/defects/surface.py @@ -225,7 +225,7 @@ def make_surface(self): frac_coords = new_atoms.frac_coords - frac_coords[:] = frac_coords[:] % 1 + # frac_coords[:] = frac_coords[:] % 1 new_atoms = Atoms( lattice_mat=latest_lat, elements=surf_atoms.elements,