Reg :: Neighbour List Size

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1

Hi all,

I am trying to implement the Core/Shell model in Lammps, during the implementation of Pair style I found that the size of the neighbour list for an atom is larger than the no of atoms in the box, is there a possible way to ensure that the list created is correct or to restrict the neighbour list with only the atoms having tags less than the nlocal atoms.

Thanks in advance,

Regards,

Sri

2

The real question to ask is why is that happening? LAMMPS includes
ghost atoms in the neighbor lists. If your cutoff is big compared
to the box size, then the neighbor list for an atom should have more

atoms in it than the system size. If your cutoff is smaller, then
you need to figure out why that is happening.

Steve