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Re: [lammps-users] Cut-On function (!)
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Re: [lammps-users] Cut-On function (!)


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 9 Oct 2017 15:51:30 -0400



On Mon, Oct 9, 2017 at 11:11 AM, Nasiri, Samaneh <samaneh.nasiri@...4839...> wrote:
Dear Lammps users,

I have a system including two sheets of graphene and one platinum cluster in between them. I am using Tersoff potential which describes Pt-Pt, Pt-C and C-C interactions only in short range. What do you suggest if  I want to include C-C long range interactions(vdW force between two graphene sheets)?

​you have asked this about a month ago and steve suggested you should use pair style table.

axel.​

 

Bests,

Samaneh

--
Samaneh Nasiri, M.Sc.
Doctorate Candidate at Institute for Materials Simulation (WW8)

Department of Materials Science
Friedrich-Alexander-University Erlangen-Nürnberg

Dr.-Mack-Str. 77, 90762 Fürth, Germany
Room: 2.024
phone: +49 911 65078-65065
fax:   +49 911 65078-65066

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.