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Re: [lammps-users] Find bond vector
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Re: [lammps-users] Find bond vector


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 23 Aug 2017 11:35:29 -0400



On Wed, Aug 23, 2017 at 11:03 AM, Kushal Panchal <panchk2@...5049...9...> wrote:
Hi all,

Is there a way to compute the bond vector of a polymer?

​it is easy to do in post-processing. you have the information about which atom ids form a bond, look up the positions of those atoms in a dump file and compute the vectors.

axel.​

 
There's the compute bond/local command, but that only gives the bond distance (length of the bond), but is there a way to get the bond vector that captures of orientation?

Thanks,
Kush

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.