[lammps-users] E_vdwl in thermo outputs when using AIREBO pair style

LAMMPS LAMMPS Mailing List Mirror
1

Dear all,

I am using CH.airebo to simulate the interaction between carbon atoms in a graphene. I found that even I turned off the LJ term in AIREBO, I still got non-zero van der Waals energy E_vdwl. Meanwhile, bond energy, angle energy and dihedral energy are all zero. I am wondering why E_vdwl is not zero and how can I get the bond energy, angle energy and dihedral energy.

Thanks,

Zhao

2

The only thing AIREBO tabulates is E_vdwl - no pair style in LAMMPS tabulates
bond, angle, dihedral energies. All terms in AIREBO are considered as
contributing to the "pairwise" energy.

Steve