[lammps-users] Dev: Difference between variables?

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#1

Dear Steve,

Could it be possible to know precisely what is the difference between:

A) nlocal and inum, being: nlocal = atom->nlocal and inum = list->inum;

B) and the values returned by: i = ilist[ii]; and itag = tag[i]; (being ilist = list->ilist;)

I am having problems to run my new force field in parallel. In particular, when I try to get the number of neighbors (numneigh) of particular atoms I get a negative number!. In serial the code runs fine, hence I believe I do not clearly understand the difference between local and local+ghost atoms.

Thank you in advance, Javier

#2

Normally, inum = nlocal. The exception is when using
pair_style hybrid, when a subset of atoms may be passed
to the pair compute() routine in the neighbor list.

The values in the neighbor
list are local array indices, not the global tags.

Steve