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Re: [lammps-users] Initial relax box after applying displacement
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Re: [lammps-users] Initial relax box after applying displacement


From: Giacomo Fiorin <giacomo.fiorin@...24...>
Date: Fri, 6 Oct 2017 09:02:44 -0400

After you change the unit cell, follow the same protocol that you followed for obtaining a relaxed box for the initial unit cell.

On Fri, Oct 6, 2017 at 4:15 AM, Asadollahzadeh <niliasadollahzadeh@...24...> wrote:
Hi my friends!
I have a relaxed box,now I apply displacement in x & y direction.after that, I want to have my initial relax box.what do I do?

Thanks;
Nili

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--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD