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compute temp command

Syntax:

compute ID temp 

Examples:

compute 1 temp
compute myTemp temp 

Description:

Define a computation that calculates the temperature of all particles.

The temperature is calculated by the formula KE = dim/2 N kB T, where KE = total kinetic energy of the particles (sum of 1/2 m v^2), dim = dimensionality of the simulation, N = number of particles, kB = Boltzmann constant, and T = temperature.

Note that this definition of temperature does not subtract out a net streaming velocity for particles, so it is not a thermal temperature when the particles have a non-zero streaming velocity. See the compute thermal/grid command for calculation of thermal temperatures on a per grid cell basis.


Output info:

This compute calculates a global scalar (the temperature). This value can be used by any command that uses global scalar values from a compute as input. See Section 4.4 for an overview of SPARTA output options.

The scalar value will be in temperature units.

Restrictions: none

Related commands: none

Default: none