[lammps-users] Setting Dipole moment

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1

Hi,
       I found that dipole moments can be set on atoms as described in: http://lammps.sandia.gov/doc/dipole.html . What i am confused about is as dipole moment is a vector quantity where am i suppose to specify that. Also the documentation says that it is only used when the atom_style requires it. However i intend to use it with a fully atomistic model (where the atoms are actually super atoms, obtained after coarse graining of the real model). Will i be able to specify dipole in that case. I very much appreciate any inputs.

Thanks
Arnab

2

We have an internal copy of LAMMPS with some dipole options,
but it isn't fully implemented or ready for release. So in the public
version of LAMMPS there is no atom_style dipole or dipole potentials
or dipole integrators, etc that would make dipoles functional.

So the command you see is really an orphan, not meant for
public consumption (yet). The critical part we don't have working
is an ewald/dipole or pppm/dipole - so if someone wants to volunteer,
let me know!

Steve