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Re: [lammps-users] Lammps help
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Re: [lammps-users] Lammps help


From: "Thakur, Mohmad" <mthakur1@...5258...>
Date: Mon, 16 Apr 2018 12:20:00 -0400

Wouldn't that affect results since I am using periodic boundary conditions in x and y direction.

On Mon, Apr 16, 2018 at 12:14 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Mon, Apr 16, 2018 at 11:47 AM, Thakur, Mohmad <mthakur1@...5258...> wrote:
> How can we use PPPM with triclinic box and slab correction? I get an error
> message saying it can't be done (yet).
> Is there any alternate way to do it?

you can convert your non-orthogonal cell into an orthogonal supercell.

axel.
>
> --
> With Regards,
> Mohmad Mohsin Thakur
> Graduate student
> University of Tennessee – Knoxville
> Dept. of Civil & Environmental Engineering
>
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--
Dr. Axel Kohlmeyer  akohlmey@...43...4...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.



--
With Regards,
Mohmad Mohsin Thakur
Graduate student
University of Tennessee – Knoxville
Dept. of Civil & Environmental Engineering