Raise exception if periodic boundary used with rounded corners

This commit is contained in:
Paul Romano 2017-05-18 13:40:48 -05:00
parent dbb30c6eb1
commit e2094435b8

View file

@ -2141,6 +2141,10 @@ def get_hexagonal_prism(edge_length=1., orientation='y',
# Handle rounded corners if given
if corner_radius > 0.:
if boundary_type == 'periodic':
raise ValueError('Periodic boundary conditions not permitted when '
'rounded corners are used.')
c = sqrt(3.)/2
t = l - corner_radius/c