Round min image distance to avoid tiny mismatches causing breaks (e.g. 9.9995 being flagged as less than 10 Å)

Author: kavanase

doped/generation.py

@@ -1423,7 +1423,9 @@ def __init__(
             if not generate_supercell:  # re-order bulk supercell to match that of input supercell
                 self.bulk_supercell = reorder_s1_like_s2(self.bulk_supercell, self.structure)
 
-            self.min_image_distance = supercells.get_min_image_distance(self.bulk_supercell)
+            # get and round (to avoid tiny mismatches, due to rounding in search functions,
+            # flagging issues) min image distance of supercell:
+            self.min_image_distance = np.round(supercells.get_min_image_distance(self.bulk_supercell), 3)
 
             # check that generated supercell is greater than ``min_image_distance``` Å in each direction:
             if self.min_image_distance < specified_min_image_distance and self.generate_supercell: