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


From: "S. Ramaswami" <rsubrah@...1509...>
Date: Thu, 13 Jul 2017 18:59:42 +0000

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.

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