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Re: [lammps-users] Changing boundary conditions from periodic to non-periodic to simulate shock in a polymer
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Re: [lammps-users] Changing boundary conditions from periodic to non-periodic to simulate shock in a polymer


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 13 Jul 2017 15:45:38 -0400



On Thu, Jul 13, 2017 at 2:59 PM, S. Ramaswami <rsubrah@...6992....> wrote:

Dear All,

I have an equilibrated polyurea model with periodic boundary conditions applied (thanks to valuable advice earlier), and intend to remove the periodic boundary conditions along one direction before simulating a shockwave through the model. Is there a way to use LAMMPS to "unwrap" the model in that direction when changing the boundary conditions? I realize I should equilibrate the model again before simulating the shockwave.

​what do you mean exactly by "unwrap"? can you perhaps provide a little ASCII-art graph or a little drawing?

axel.
 

Regards,
Ramaswami.


________________________________
S. Ramaswami  |  Research Associate
College of Engineering, Computing and Applied Sciences

238 EIB  |  Clemson, SC 29634-0921
rsubrah@clemson.edu  |  864.656.5639

Clemson University




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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.