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compute ke/atom command

Syntax:

compute ID group-ID ke/atom 

Examples:

compute 1 all ke/atom 

Description:

Define a computation that calculates the per-atom kinetic energy for each atom in a group. This can be output via the dump custom command.

The kinetic energy is simply 1/2 m v^2, where m is the mass and v is the velocity of each atom.

Restrictions: none

Related commands:

dump custom

Default: none