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


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 16 Apr 2018 12:14:23 -0400

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@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.