Average bond vector

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jude vishnu

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Oct 6, 2021, 5:47:45 AM10/6/21

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Hi Everyone,

Is it possible to calculate the average bond vector using freud? I can always write a script for it, but if it exists within freud I just don't want to waste much time on it. Please let me know if there exists any function for it.

Regards,

Jude Ann Vishnu

Tommy Waltmann

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Oct 6, 2021, 9:42:05 AM10/6/21

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Hi Jude,

freud does not do this specific calculation, but it is easy to do it in a line or two with numpy after computing a neighborlist with freud.

Best,

Tommy

jude vishnu

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Oct 22, 2021, 5:54:38 AM10/22/21

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Thank you. I implemented it using numpy.

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