47 lines
1.1 KiB
ReStructuredText
47 lines
1.1 KiB
ReStructuredText
.. index:: fix_modify AtC consistent_fe_initialization
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fix_modify AtC consistent_fe_initialization 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> consistent_fe_initialization <on|off>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* consistent_fe_initialization = name of the AtC sub-command
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* *on* or *off* = switch to activate/deactivate the initial setting of the FE intrinsic field to match the projected MD field
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC consistent_fe_initialization on
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Description
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"""""""""""
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Determines whether AtC initializes FE intrinsic fields (e.g.,
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temperature) to match the projected MD values. This is particularly
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useful for fully overlapping simulations.
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Restrictions
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""""""""""""
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Can be used with: *thermal*, *two_temperature*.
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Cannot be used with time filtering on.
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Does not include boundary nodes.
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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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Default is *off*
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