compute meso/t/atom command
compute ID group-ID meso/t/atom
- ID, group-ID are documented in compute command
- meso/t/atom = style name of this compute command
compute 1 all meso/t/atom
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.
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 6.15 for an overview of LAMMPS output options.
The per-atom vector values will be in temperature units.
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.