Syntax:
compute ID group-ID meso_t/atom
Examples:
compute 1 all meso_t/atom
Description:
Define a computation that calculates the per-atom internal temperature for each atom in a group.
The internal temperature is the ratio of internal energy over the heat capacity associated with the internal degrees of freedom of a mesoscopic particles, e.g. a Smooth-Particle Hydrodynamics particle.
T_int = E_int / C_V, int
See this PDF guide to using SPH in LAMMPS.
The value of the internal energy will be 0.0 for atoms not in the specified compute group.
Output info:
This compute calculates a per-atom vector, which can be accessed by any command that uses per-atom values from a compute as input. See Section_howto 15 for an overview of LAMMPS output options.
The per-atom vector values will be in temperature units.
Restrictions:
This compute is part of the USER-SPH package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.
Related commands:
Default: none