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Re: [lammps-users] Displacement Perturbations in lammps
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Re: [lammps-users] Displacement Perturbations in lammps


From: Sonu Kumar <sonubwbs@...8...>
Date: Thu, 24 Aug 2017 04:16:51 +0000

I don't want to give displacement explicitly. I want it do move as it wants as per nve/sphere fix. After that I want to add infinitesimally small displacement to the particles displacement at each timestep. However, since I am using nve/sphere, I cannot use fix move variable to specify it.



From: Steve Plimpton <sjplimp@...24...>
Sent: Thursday, August 24, 2017 1:02 AM
To: Sonu Kumar
Cc: lammps-users@lists.sourceforge.net
Subject: Re: [lammps-users] Displacement Perturbations in lammps
 
Fix move is the every-timestep way of doing displace_atoms.
Why do you need fix nve/sphere if you are moving atoms'
explicitly?

Steve

On Tue, Aug 22, 2017 at 8:28 AM, Sonu Kumar <sonubwbs@...8...> wrote:

Dear users,

I wanted to apply displacement perturbations in my system. I have used nve/sphere because of which I can't use fix move variable. Is it possible to use displace_atoms (such that it is evaluated every timestep)? Is there some other way?


Thank You



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