Simplify the energy mask and reduce bias by removing the need for modulo operations, which led to an inconsistent number of structures selected in bins with a large number of potential structures, and favoured lower energy structures slightly.
Also changes the type of conditions returned to a list, allowing it to be manipulated (printed, counted, etc.) without destroying the contents.
Simplify the energy mask and reduce bias by removing the need for modulo operations, which led to an inconsistent number of structures selected in bins with a large number of potential structures, and favoured lower energy structures slightly.
Also changes the type of
conditionsreturned to a list, allowing it to be manipulated (printed, counted, etc.) without destroying the contents.