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Re: [lammps-users] Apply barostat in Non-periodic boundary condition.
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Re: [lammps-users] Apply barostat in Non-periodic boundary condition.

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 5 May 2018 13:25:27 -0400

On Sat, May 5, 2018 at 12:52 PM, Md. Imrul Reza Shishir
<imrul.reza.shishir@...24...> wrote:
> Dear all
> Good day.
> I have a mono layer panel of atom for uniaxial tension simulation in LAMMPS.
> I apply non-perodic boundary condition in my  simulation boxed. I have
> question that can I apply barostat to control of pressure on the box

if you have a non-periodic dimension, you cannot apply a barostat,
because there is no physical meaning to it.
where should the pressure (or rather force) be coming from when there
is nothing?


> Thank you in advance.
> Best Regards
> Md Imrul Reza Shishir
> PhD Student
> UNC Charlotte
> United States
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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.