\(\renewcommand{\AA}{\text{Å}}\)

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 the Howto output page 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 MACHDYN package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info. This compute can only be used for particles which interact via the updated Lagrangian or total Lagrangian SPH pair styles.

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