Resolve "Error handling of non-periodic structures in ClusterSpace"
Summary of changes
- Add
ValueError
if atoms doesnt not have all pbc. - Add unittest to test this.
- Added the same pbc check in
get_primitive
function since it won't work correctly if pbc are not True. (Also this will raise aValueError
if you try to create an FCM object with pbc=False)
@freeriks maybe you wanted to do the FCM
pbc check another way?
Closes #210