LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands

compute temp/asphere command

Syntax:

compute ID group-ID temp/asphere 

Examples:

compute 1 all temp/asphere
compute myTemp mobile temp/asphere 

Description:

Define a computation that calculates the temperature of a group of aspherical or ellipsoidal particles. The computation is similar to compute_temp, however, additional degrees of freedom (2 or 3) are incorporated for particles where the principal moments of inertia are unequal. The associated kinetic energy thus includes a rotational term KE_rotational = 1/2 I w^2, where I is the moment of inertia and w is the angular velocity.

Output info:

The scalar value calculated by this compute is "intensive", meaning it is independent of the number of atoms in the simulation. The vector values are "extensive", meaning they scale with the number of atoms in the simulation.

Restrictions:

Can only be used if LAMMPS was built with the "asphere" package.

Related commands:

compute temp

Default: none