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### compute dpd command

Syntax:

    compute ID group-ID dpd

- ID, group-ID are documented in compute command
- dpd = style name of this compute command

Examples:

    compute 1 all dpd

Description:

Define a computation that accumulates the total internal conductive energy (U_cond), the total internal mechanical energy (U_mech), the total chemical energy (U_chem) and the harmonic average of the internal temperature (dpdTheta) for the entire system of particles. See the compute dpd/atom command if you want per-particle internal energies and internal temperatures.

The system internal properties are computed according to the following relations:

where N is the number of particles in the system

Output info:

This compute calculates a global vector of length 5 (U_cond, U_mech, U_chem, dpdTheta, N_particles), which can be accessed by indices 1-5. See this section for an overview of LAMMPS output options.

The vector values will be in energy and temperature units.

Restrictions:

This command is part of the USER-DPD package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.

This command also requires use of the atom_style dpd command.

Related commands:

compute dpd/atom, thermo_style

Default: none

(Larentzos) J.P. Larentzos, J.K. Brennan, J.D. Moore, and W.D. Mattson, "LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics (DPD-E)", ARL-TR-6863, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD (2014).