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Re: [lammps-users] hybrid pair_style error
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Re: [lammps-users] hybrid pair_style error


From: Julien Guénolé <julien.guenole@...4839...>
Date: Tue, 7 Nov 2017 11:23:23 +0100

On 07/11/17 10:01, YOHANNA Jacob Baro via lammps-users wrote:
yes sir, am new with lammps and gradually getting use it.
the problem am trying to solve involves the use of morethan One pair potential. can it be model without the use of 'hybrid'?

without a more detailed description of what the "morethan One pair potential" is, it is very unlikely that you will get any help!
Detail the potential structure/principle/basics/etc., and maybe one could lead you to some directions...
Julien


On Tuesday, November 7, 2017, 5:28:43 AM GMT+1, Axel Kohlmeyer <akohlmey@...24...> wrote:




On Mon, Nov 6, 2017 at 10:02 PM, YOHANNA Jacob Baro via lammps-users <lammps-users@lists.sourceforge.net> wrote:
Hi,
I got this error when running mysimulation. can somebody help please?

​there are about 5 definite errors in this little input segment​, and likely a couple more conceptual problems which point to a significant lack of experience and understanding.
i suggest you start with something simpler, where you don't need to use anything "hybrid".

since LAMMPS is a modular software, you need to make certain, that you have all modules included, that are needed for your simulations. it appears, that this is not the case here.

axel.
 

    ERROR: Illegal pair_style command (../pair_lj_cut.cpp:430)
    Last command: pair_style hybrid lj/cut 2.5 sw tersoff

here is part of my input file.

pair_style hybrid lj/cut 2.5 sw tersoff
pair_coeff       * * Ge.tersoff Ge
pair_coeff       * * p.sw P
pair_coeff       1 2 lj/cut 1.0 1.0 2.5

Jakes


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