79 lines
1.7 KiB
ReStructuredText
79 lines
1.7 KiB
ReStructuredText
.. index:: fix_modify AtC time_integration
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fix_modify AtC time_integration command
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=======================================
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Syntax
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""""""
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.. code-block:: LAMMPS
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fix_modify <AtC fixID> time_integration <descriptor>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* time_integration = name of the AtC sub-command
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* descriptor = *gear* or *fractional_step* or *verlet*
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC time_integration fractional_step
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Description
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"""""""""""
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Command to select the thermal or momentum time integration.
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---------
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Options for thermal time integration:
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*gear*
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atomic velocity update with second order Verlet, nodal temperature update
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with third or fourth order Gear, thermostats based on controlling power
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*fractional_step*
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atomic velocity update with second order Verlet, mixed nodal temperature
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update, 3/4 Gear for continuum and 2 Verlet for atomic contributions,
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thermostats based on controlling discrete energy changes
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---------
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Options for momentum time integration:
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*verlet*
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atomic velocity update with second order Verlet, nodal temperature update
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with second order Verlet, kinetostats based on controlling force
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*fractional_step*
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atomic velocity update with second order Verlet, mixed nodal momentum
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update, second order Verlet for continuum and exact second order Verlet for
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atomic contributions, kinetostats based on controlling discrete
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momentum changes
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*gear*
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atomic velocity update with second order Verlet, nodal temperature update
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with third or fourth order Gear, kinetostats based on controlling power.
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---------
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Restrictions
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""""""""""""
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None.
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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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None.
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