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Re: [lammps-users] force field
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Re: [lammps-users] force field


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 15 Aug 2017 14:09:37 -0400



On Tue, Aug 15, 2017 at 1:43 PM, Asadollahzadeh <niliasadollahzadeh@...24...> wrote:
Hi my friends!
I am trying to simulate an alloy with base Cu and different percent of Al. When Cu is %100 & Al is %0, how can I use AlCu.eam.alloy for force field ?
 
I use this commands:
set             group all type/fraction 2 0 12393 
mass 1 63.546
mass 2 26.9815

Is it true?

​please think about it. you should come up with the answer by yourself.​ think about what your "set" command line is doing (or not).

​please also consider, that it is *extremely* simple in this case to verify​ whether you get the desired result.

​axel.​


 

Thanks,
Nili

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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.