Dear LAMMPS users,
I am studying a system of solid walls and liquids above the wall. They are influenced with each other by potentials: LJ, Coulomb, Bond, Angle.
There are potentials of LJ and Coulomb for liquids and walls respectively.
I want to obtain the LJ, and Coulomb potential values for both liquids and walls respectively. But I only find a way to output the pair potential=LJ+Coulomb for the whole system.
The one I tried:
(1) “compute group/group” command, but it only outputs the pair energy instead of LJ(VDWL) and Coulomb respectively; (Syntax: compute ID group-ID group/group group2-ID keyword value … )
(2) “Compute pair” command, but it only outputs the extracts additional values calculated by a pair style. But the group id must be the “all”, instead of the subgroup. (Syntax: compute ID group-ID pair pstyle evalue)
(3) “thermo_style” command, also only output the whole system for coulomb or Lj potential.
Anybody can give some suggestions to realize what I want. I will keep digging on possible ways.
Thanks.
Eric