[lammps-users] energy per atom

LAMMPS LAMMPS Mailing List Mirror
1

Hello everyone,

how can I obtain the total energy per atom (kinetic + potential) for each timestep?

Thanks
Jaime Sanchez

2

Assuming your system is atomic, the PE per atom is
already an option in dump custom. Wouldn't be hard
to add KE per atom as an option as well. See the "customize"
comments in dump_custom.cpp

Steve