getting neighbour list from a list of bonds in freud #1200
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Hi. I am new to Freud and would like to calculate cluster properties. I have ring polymeric system and would like to form cluster only based on the bonds. However I a stuck with the following command: I tried converting my array of bonds into a dictionary and using as neighbors in the above command but I am getting the following error: "ValueError: An invalid value was provided for neighbors, which must be a dict or NeighborList object." The bonds array in my code is [[1,2], [2,3], [3,4], .......]. Can someone please help me in formatting the neighbors correctly? |
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Replies: 2 comments 1 reply
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Hi @mubisk, For the purpose of organization, please ask this question on the freud discussion board. |
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To create a neighbor list for which the neighbors are already known, use the factory method If you have any further questions, don't hesistate to ask! |
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To create a neighbor list for which the neighbors are already known, use the factory method
from_arrays
of theNeighborList
class. There is an example and further description in the documentation hereIf you have any further questions, don't hesistate to ask!