Syntax:
compute ID group-ID meso_e/atom
Examples:
compute 1 all meso_e/atom
Description:
Define a computation that calculates the per-atom internal energy for each atom in a group.
The internal energy is the energy associated with the internal degrees of freedom of a mesoscopic particles, e.g. a Smooth-Particle Hydrodynamics particle.
The value of the internal energy will be 0.0 for atoms not in the specified compute group.
Output info:
This compute calculates a per-atom vector, which can be accessed by any command that uses per-atom values from a compute as input. See this section for an overview of LAMMPS output options.
The per-atom vector values will be in energy units.
Restrictions: none
Related commands:
Default: none