49 lines
1.1 KiB
ReStructuredText
49 lines
1.1 KiB
ReStructuredText
.. index:: fix_modify AtC temperature_definition
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fix_modify AtC temperature_definition command
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=============================================
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Syntax
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""""""
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.. parsed-literal::
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fix_modify <AtC fixID> temperature_definition <kinetic|total>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* temperature_definition = name of the AtC sub-command
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* *kinetic* or *total* = (undocumented)
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC temperature_definition kinetic
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Description
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"""""""""""
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Change the definition for the atomic temperature used to create the
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finite element temperature. The kinetic option is based only on the
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kinetic energy of the atoms while the total option uses the total energy
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(kinetic + potential) of an atom.
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Restrictions
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""""""""""""
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This command is only valid when using thermal coupling. Also, while not
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a formal restriction, the user should ensure that associating a
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potential energy with each atom makes physical sense for the total
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option to be meaningful.
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Related AtC commands
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""""""""""""""""""""
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- :ref:`fix_modify AtC command overview <atc_fix_modify>`
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Default
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"""""""
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*kinetic*
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