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compute temp/dipole command

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:

compute temp

Default: none