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[lammps-users] Too many common neighbors in CNA
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[lammps-users] Too many common neighbors in CNA


From: Christophe Ortiz <christophe.ortiz@...4080...>
Date: Tue, 20 Jun 2017 14:23:17 +0000

Dear LAMMPS users,

I am working on displacement cascades in a Fe crystal.
I am using the CNA with

compute  cnatom  all  cna/atom  3.45

The cutoff corresponds to what is advised in the user's manual for bcc and Fe (ao = 2.86 A).
During the run, I get lots of warnings:

WARNING: Too many neighbors in CNA for 1 atoms (../compute_cna_atom.cpp:192)
WARNING: Too many common neighbors in CNA 4 times (../compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 4 times (../compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 4 times (../compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (../compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (../compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (../compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (../compute_cna_atom.cpp:353)

I checked in the mailing list but there is no post on this topic.
Any idea why LAMMPS is throwing this message?

With best regards,
Christophe