Closed jennyfothergill closed 2 years ago
Jank proposed that a possible snag here could be the "<" as opposed to "<=". This change didn't resolve the workflow breakdown. He also suggested that the [atom_ids] indexing should take place one line earlier for performance purposes. Nevertheless, I have created a PR with new logic that incorporates the freud functionalities suggested by jenny above.
Currently we're doing some goofy stuff in a while loop to determine the image and wrapped position of the unwrapped centers:
Some systems are getting hung up in this while loop.
We can replace this with freud's get_images and wrap.