Using atom_style hybrid dielectric sphere with pair_style hybrid overlay

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1

Hello everyone,

I’m running LAMMPS version 21 Nov 2023, on Ubuntu 22.04 - built with extra fixes and the dielectric package. I’m running this on the mpi version - but did not try running it on serial lammps.

I’m trying to run a DEM simulation that combines an LJ force field with a granular FF. I would like to introduce LJ, Coulombic and dielectric interactions in combination with a JKR force field.

However when I run a very simple script using an atom_style hybrid dielectric sphere, combined with pair_style hybrid/overlay lj/cut/coul/long/dielectric 2.5 granular, I receive the following error.

Pair style hybrid/overlay is not compatible with atom style hybrid sphere dielectric (…/atom_vec_dielectric.cpp:126)

I’m writing here to know if the dielectric LJ force field can be combined using hybrid/overlay or if I should consider an alternate approach.

Thanks for any insight,
Sourab

2

It seems to me that you are misunderstanding what the code in the DIELECTRIC package does. I cannot figure out how this would be useful in the context of a DEM simulation.

The error message is clear. You cannot combine the interactions this way.

3

Thank you for the confirmation @akohlmey . Is there any reading you’d recommend for information on packages that I can use for Granular systems?

4

General information about what packages are available and what is their purpose is in the LAMMPS manual which has a whole chapter on packages. More detailed information is with the individual commands and the cited references. LAMMPS has currently 90 packages, so the number of permutations of which packages are compatible and useful with which other packages is far too large to test and make a comprehensive list.