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


From: pmoreira@...527...
Date: Thu, 14 Dec 2017 15:05:23 -0200


 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