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Re: [lammps-users] Force Field
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Re: [lammps-users] Force Field


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 11 Oct 2017 17:57:00 -0400



On Wed, Oct 11, 2017 at 5:31 PM, Quentin Faure <quentinf30@...33....5903...> wrote:
Hi,

I am planning to use LAMMPS for a project (simulation of cement interacting with water). I would like to do simulations with my own force field (a force field I have created). Is it possible to specify to LAMMPS to use my force field rather than the one that it already has? And if it possible, how to do it?

please have a look at the LAMMPS manual before asking such questions. it is supposed to answer them. that is why people write a manual.
if you have more specific questions about specific parts of the manual, you are most welcome to ask them here.

axel.

 

Quentin
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--
Dr. Axel Kohlmeyer  akohlmey@...92......  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.