compute smd/internal/energy command¶
compute ID group-ID smd/internal/energy
ID, group-ID are documented in compute command
smd/smd/internal/energy = style name of this compute command
compute 1 all smd/internal/energy
Define a computation which outputs the per-particle enthalpy, i.e., the sum of potential energy and heat.
See this PDF guide to use Smooth Mach Dynamics in LAMMPS.
This compute calculates a per-particle vector, which can be accessed by any command that uses per-particle values from a compute as input. See the Howto output doc page for an overview of LAMMPS output options.
The per-particle vector values will be given in units of energy.
This compute is part of the USER-SMD package. It is only enabled if LAMMPS was built with that package. See the Build package doc page for more info. This compute can only be used for particles which interact via the updated Lagrangian or total Lagrangian SPH pair styles.