55 lines
1.4 KiB
ReStructuredText
55 lines
1.4 KiB
ReStructuredText
.. index:: fix_modify AtC on_the_fly
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fix_modify AtC on_the_fly 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> on_the_fly <bond|kernel> <on|off>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* on_the_fly = name of the AtC sub-command
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* *bond* or *kernel* = specifies on-the-fly calculation of *bond* or *kernel* matrix elements
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* *on* or *off* = activate or discontinue on-the-fly mode
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC on_the_fly bond on
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fix_modify AtC on_the_fly kernel
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fix_modify AtC on_the_fly kernel off
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Description
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"""""""""""
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Overrides normal mode of pre-calculating and storing bond pair-to-node a
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nd kernel atom-to-node matrices. If activated, it will calculate elements
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of these matrices during repeated calls of field computations
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(i.e. "on-the-fly") and not store them for future use. The *on* flag is
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optional - if omitted, on_the_fly will be activated for the specified
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matrix. Can be deactivated using the *off* flag.
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Restrictions
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""""""""""""
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Must be used with :doc:`fix atc hardy <fix_atc>`.
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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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By default, on-the-fly calculation is not active (i.e. off). However,
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THE code does a memory allocation check to determine if it can store all
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needed bond and kernel matrix elements. If this allocation fails,
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on-the-fly will be activated.
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