Hello all,
I am trying to use a hybrid/overlay pair style to describe a system containing a Carbon substrate, a Au particle and Oxygen molecules.
I would like to use ffield.reax.cho for C and O, EAM for Au. LJ/cut for Au-C and Au-O.
The log.file shows that the lj/cut potential does not being used:
LAMMPS (11 Aug 2017)
Hello all,
I am trying to use a hybrid/overlay pair style to describe a system containing a Carbon substrate, a Au particle and Oxygen molecules.
I would like to use ffield.reax.cho for C and O, EAM for Au. LJ/cut for Au-C and Au-O.
for this setup, you should not be using hybrid/overlay, but hybrid.
carefully compare the interaction assignment you are listing above with
the pair_coeff statement below. there is a difference which is causing the
error.
axel.