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Re: [lammps-users] Fwd: Doubt in LAMMPS: Loops and incrementing variables
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Re: [lammps-users] Fwd: Doubt in LAMMPS: Loops and incrementing variables


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 3 Jul 2017 00:09:21 -0400

On Sun, Jul 2, 2017 at 9:56 AM, ankur agrawal
<ankur.agrawal1103@...24...> wrote:
>
> Hi
> I am simulating Evaporating Sodium Droplet ( I am basically trying to
> reproduce results of attached paper). I am having dificulty in executing the
> counting algorithm which will basically count the number of atoms in vapor
> phase, liquid phase and in surface. The crieterion for phase is defined by
> the number of neighbors (specified in the research paper). There is some
> error in the loop. Please help me out

you are not very likely to have somebody read and debug your input and
provide you with a corrected version that matches your reference.
figuring out how to do your research, is *your* job. if you have
difficulties, you should first discuss with your adviser, too.

if you have a particular issue and ask a specific question about a
specific command, people may be willing to provide you with an answer,
but "there is some error" is *far* too vague.

axel.

> PFA the code attached
> Yours Sincerely
> Ankur Agrawal
> FourthYear Dual Degree Student
> Department of Chemical Engineering
> Indian Institute of Technology, kanpur, India
>
> Mobile-7753058907
> Alternate Email:ankurag@...71...
>
>
>
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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.