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

From: Michał Kański <michal.kanski@...2460...>
Date: Thu, 14 Dec 2017 19:45:48 +0000

You can change bin size:


On 14 December 2017 18:05:23 CET, 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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