LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] pair_style hybrid
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] pair_style hybrid


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 29 Oct 2017 11:11:16 -0400

On Sun, Oct 29, 2017 at 11:06 AM, Nader <nader20@...24...> wrote:
> Hi there,
>
> in pair_style hybrid there is an example about 2 types of atom, Si and C.
> It has been written such as bellow:
>
> pair_style hybrid lj/cut 2.5 tersoff tersoff
> pair_coeff * * tersoff 1 Si.tersoff Si NULL
> pair_coeff * * tersoff 2 C.tersoff NULL C
> pair_coeff 1 2 lj/cut 1.0 1.5
>
> Why dont we use pair_coeff such this:
>
> pair_coeff 1 1 tersoff 1 Si.tersoff Si NULL
> pair_coeff 2 2 tersoff 2 C.tersoff NULL C
> pair_coeff 1 2 lj/cut 1.0 1.5

http://lammps.sandia.gov/doc/pair_tersoff.html

>
> Thanks in advance
> Nader
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> lammps-users mailing list
> lammps-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/lammps-users
>



-- 
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.