compute smd/internal/energy command
Syntax
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
Examples
compute 1 all smd/internal/energy
Description
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.
Output Info:
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 How-to discussions, section 6.15 for an overview of LAMMPS output options.
The per-particle vector values will be given in units of energy.
Restrictions
This compute is part of the USER-SMD package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info. This compute can only be used for particles which interact via the updated Lagrangian or total Lagrangian SPH pair styles.
Related Commands: