compute dpd/atom command
compute ID group-ID dpd/atom
- ID, group-ID are documented in compute command
- dpd/atom = style name of this compute command
compute 1 all dpd/atom
Define a computation that accesses the per-particle internal conductive energy (u_cond), internal mechanical energy (u_mech), internal chemical energy (u_chem) and internal temperatures (dpdTheta) for each particle in a group. See the compute dpd command if you want the total internal conductive energy, the total internal mechanical energy, the total chemical energy and average internal temperature of the entire system or group of dpd particles.
This compute calculates a per-particle array with 4 columns (u_cond, u_mech, u_chem, dpdTheta), which can be accessed by indices 1-4 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 array values will be in energy (u_cond, u_mech, u_chem) and temperature (dpdTheta) units.