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,