[lammps-users] Energy Output for multi-body potential

Dear all,

I am now using EAM potential, in which the total energy E is the sum of pair potential energy Phi(r) and embedding energy F(rho). How can I output the total pair potential separately, or embedding part? I firstly tried 'pe' and 'epair' in thermo output which I supposed they represented E and pair potential Phi, but these two gave me exactly same value. I think I may misunderstood the meaning of 'pe' and 'epair' here...

Thanks for any suggestion in advance


LAMMPS doesn't tally them separately. You'd have to instrument
the pair_eam.cpp file yourself to get at that level of detail.