[lammps-users] Cannot dump bonds

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1

Dear All,
when I try to dump bonding information with dump bond command I had the following error:

ERROR: Cannot use dump bond with non-molecular system

my system is a simple crystalline silicon and using ReaxFF.

DUNDAR YILMAZ
Phd Candidate
Bilkent University Dept. of Physics
[email protected]...

2

ReaxFF is a pair style, not a bond style. The "bonds" in
ReaxFF are dynamic and cannot be dumped that way.
(same for other bond-order potentials: Tersoff, AIREBO, etc).

We
will soon release a fix bond/reax that will extract this info
from the ReaxFF and allow you to write it to a file.

Steve