Closed this issue 3 years ago · 1 comments
this actually seems to be an issue with Crystal slicing in Xtals
Crystal
Xtals
drop_cross_pb_bonds! fails on sliced Crystal with KeyError: key :cross_boundary not found
drop_cross_pb_bonds!
KeyError: key :cross_boundary not found
seems like when slicing a crystal, bond attributes are not [always] copied.