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Re: [lammps-users] Simulate an Einstein solid
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Re: [lammps-users] Simulate an Einstein solid

From: Stefan Paquay <stefanpaquay@...24...>
Date: Thu, 14 Dec 2017 20:10:04 +0100

This is what pair_style zero was made for.

On Thu, Dec 14, 2017 at 6:05 PM, <pmoreira@...527...> wrote:

 Dear all.

 I am trying to simulate an (classical) Einstein solid using fix spring/self. I can simulate a solid (e.g., Fe with EAM potential) and add the fix spring/self. However, if I want only the fix spring/self, the following error is happening:

ERROR: Atom sorting has bin size = 0.0 (../atom.cpp:1859)
Last command: run

I suppose the LAMMPS integrator (NVE) needs a pair style. If so, it will not possible to run only with the fix spring/self, will it?

Can this problem be circumvented?

With best regards,

Pedro Moreira
Associate Professor, UFSCar, Brazil

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