Syntax:
compute ID group-ID temp/dipole
Examples:
compute 1 all temp/dipole compute myTemp mobile temp/dipole
Description:
Define a computation that calculates the temperature of a group of particles that include a point dipole. The computation is similar to compute_temp, however, additional degrees of freedom are inlclude to account for the rotational state of the particles. The associated kinetic energy includes a rotational term KE_rotational = 1/2 I w^2, where I is the moment of inertia and w is the angular velocity.
Restrictions:
Can only be used if LAMMPS was built with the "dipole" package.
Related commands:
Default: none