diff --git a/Source/bonds.py b/Source/bonds.py index 882713c..d9da657 100644 --- a/Source/bonds.py +++ b/Source/bonds.py @@ -351,6 +351,8 @@ class bondmaker: #print('z range: [%6.2f;%6.2f] %6.2f'%(zmin,zmax,zlen)) # how many boxes do we need in each dimension? + # NOTE: math.ceil() returns an int in python3 and a float in python2, + # so we need to cast it to int for range() to work. self.no_box_x = max(1, int(math.ceil(xlen/box_size))) self.no_box_y = max(1, int(math.ceil(ylen/box_size))) self.no_box_z = max(1, int(math.ceil(zlen/box_size)))