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Re: [lammps-users] How can create diamond polymer network using Lammps ?
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Re: [lammps-users] How can create diamond polymer network using Lammps ?


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 29 Aug 2018 09:17:16 -0400



On Wed, Aug 29, 2018 at 12:56 AM Praveen Kumar <kumarpraveen@...381...> wrote:

[...]

Yeah, I make understand. In diamond network, each lattice point consider
as a bead and these beads are connected through harmonic spring (like
harmonic bead-spring model). In this network each bead connected to other
nearest four beads (like in diamond each diagonally bead connected by 3
face beads and 1 corner bead). And I want repeating units of this network.

ray already gave you a suggestion how to generate atoms on the lattice positions of a diamond crystal with LAMMPS and steve already suggested how you can add bonds to such a system with LAMMPS. have you tried these out?
 
Please have a look attached structure. I would like to thanks in advance.
if get .data file of this network.

please realize, that it is *your* task to apply available tools to build the structure you need. it is not the task of the mailing list, to do that work for you. people here volunteer their time, they can point you into the right direction (or a different one, in case others didn't work out), but nobody has the time to figure out a complete solution for you. most problems cannot be solve with a simple "do this, not that" kind of solution, but you will have to solve them in steps, possibly using multiple commands and/or tools.

axel.

 


 
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--
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.