fix_modify AtC temperature_definition command¶
Syntax¶
fix_modify <AtC fixID> temperature_definition <kinetic|total>
AtC fixID = ID of fix atc instance
temperature_definition = name of the AtC sub-command
kinetic or total = (undocumented)
Examples¶
fix_modify AtC temperature_definition kinetic
Description¶
Change the definition for the atomic temperature used to create the finite element temperature. The kinetic option is based only on the kinetic energy of the atoms while the total option uses the total energy (kinetic + potential) of an atom.
Restrictions¶
This command is only valid when using thermal coupling. Also, while not a formal restriction, the user should ensure that associating a potential energy with each atom makes physical sense for the total option to be meaningful.
Default¶
kinetic