cosymlib scripts now use xyz files as reference polyhedron

shape_classic still works as before
GrupEstructuraElectronicaSimetria · Jan 30, 2020 · 495fd22 · 495fd22
1 parent f149273
commit 495fd22
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/scripts/cosym b/scripts/cosym
@@ -167,7 +167,7 @@ if args.shp_labels:
 reference_polyhedron = []
 if args.shp_measure == 'custom':
     reference_polyhedron = file_io.get_molecule_from_file_xyz(args.custom_ref)
-    [x.set_positions(args.central_atom-1) for x in reference_polyhedron]
+    [x.set_positions(args.central_atom - 1) for x in reference_polyhedron]
 elif not reference_polyhedron:
     if args.shp_measure == 'all':
         try: