pair_style and dump cutoff

Dear all,
I’m using a Buckingham potential with cutoff=7.0 angstroms and dumping the inter-atomic distances with the following command:

dump 3 all local 3 neighborlist index c_ATOMS[1] c_ATOMS[2] c_DISTANCE

Doing this I get a file listing the pair of atoms within that cutoff distance. Is there a way to set a different cutoff when it comes to dump those data? I mean, can I use the aforementioned cutoff for the Buckingham potential but a different one to dump? I tried to find it out in the manual but couldn’t figure it out.

Thank you very much

Manuel Monge-Palacios
Postdoctoral Fellow
Department of Theoretical Chemistry
University of Missouri-Columbia

Dear all,
I'm using a Buckingham potential with cutoff=7.0 angstroms and dumping the
inter-atomic distances with the following command:

dump 3 all local 3 neighborlist index c_ATOMS[1] c_ATOMS[2]
c_DISTANCE

Doing this I get a file listing the pair of atoms within that cutoff
distance. Is there a way to set a different cutoff when it comes to dump
those data?

​dump local doesn't care it just outputs "local" data. so if you would want
different cutoffs to apply, this would have to be done at the computes that
generates this data.​

​axel.​

I mean, can I use the aforementioned cutoff for the Buckingham potential

More generally, there is no way to generate info in a local dump

that is for pairs further away than the defined pair style cutoff.

That info is simply not known to LAMMPS. You could

use the rerun command to read dump file snapshots (e.g. atom or

custom style), and define a cutoff in the rerun script

that is longer (or shorter) than your original run. Then dump

local could access a different set of pairwise values.

Steve