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!!

zhang

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.

Steve