Simulate an Einstein solid

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

This is what pair_style zero was made for.

You can change bin size: http://lammps.sandia.gov/doc/atom_modify.html

Michal

Stefan.

  That is the answer which I was looking for.

  Thanks,

  Pedro

Citando Stefan Paquay <[email protected]...>: