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Re: [lammps-users] About how to get forces between two atoms groups
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Re: [lammps-users] About how to get forces between two atoms groups


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 15 Jun 2017 12:35:06 -0400



On Thu, Jun 15, 2017 at 11:11 AM, Arun Bikram Thapa <aaron.thapa143@...24...> wrote:
Dear lammps users,

I am running simulation between nanotubes. each nanotubes are given a group name. Now I want to calculate the force between any of two nanotubes. I tried to use compute goup/group command but my pair potential is Airebo and this potential is restricted in  compute group/group. Is there any other possible way I can calculate force between two atom group using manybody/3body potential.

​please see my recent comments on​ the same topic in the mailing list archives. i even provided a detailed test example for demonstration purposes.

axel.

 

Thanks,
Aaron



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