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Re: [lammps-users] ClayFF
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Re: [lammps-users] ClayFF

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 3 Nov 2017 09:31:11 -0400

On Fri, Nov 3, 2017 at 5:03 AM, Mohammad Hasan Badizad <badizad@...24...> wrote:
Dear All

Does anybody have experience on modeling clay structure in LAMMPS?

​what is your level of experience with LAMMPS and MD simulations in general?
in order to give helpful answers, people need to know what they need to explain and what not.

I'm going to create those complex structure, but, I don't know what's the best pre-processor for starting up?

​the first step in learning how to set up calculations, should always be to read "methods and models" section (and often also auxiliary information) of papers​ that deal with similar problems. the odds to get an answer to such a specific problem (and not really a problem of the MD code at that, but rather of the specific area of research) but with such a vague premise are extremely low.

Does anybody have file code of ClayFF?

​what does that mean?




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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.