binsize definition

Hi, all

when I read the commands “neighbor style” and “neigh_modify command”, I was confused by the definition of the size of neighbor list.

In “neighbor style”, the size of the neighbor cutt off= force cutoff + skin distance (by default 2.0 Angstroms for rea units), while in “neigh_modify command”, the manual says " by default, for neighbor style bin, Lammps uses bins that are 1/2 the size of the maximum pair cutoff". Besides, if I don’t use the “neigh_modify command” in my input script, the default binsize is 0.0, the LAMMPS will use the default binsize of 1/2 the cutoff.

My problem is: is there any difference between the “the size of the neigbor” and the binsize which is used to build the neighbor list?

Any help will be gratefull!!


The neighbor cutoff is a physical distance which
affects how many neighbors each atom has.

The binsize is just a computational parameter which

affects how the neighbor list is built. It does not
affect the final neighbor list, i.e. how many neighbors
each atom has.