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Axel Kohlmeyer 2020-03-18 23:41:37 -04:00
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doc/src/atc_hardy_on_the_fly.rst Normal file
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.. index:: fix_modify AtC on_the_fly
fix_modify AtC on_the_fly command
=================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> on_the_fly on_the_fly <bond|kernel> <on|off>
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* on_the_fly = name of the AtC sub-command
* *bond* or *kernel* = specifies on-the-fly calculation of *bond* or *kernel* matrix elements
* *on* or *off* = activate or discontinue on-the-fly mode
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC on_the_fly bond on
fix_modify AtC on_the_fly kernel
fix_modify AtC on_the_fly kernel off
Description
"""""""""""
Overrides normal mode of pre-calculating and storing bond pair-to-node a
nd kernel atom-to-node matrices. If activated, it will calculate elements
of these matrices during repeated calls of field computations
(i.e. "on-the-fly") and not store them for future use. The *on* flag is
optional - if omitted, on_the_fly will be activated for the specified
matrix. Can be deactivated using the *off* flag.
Restrictions
""""""""""""
Must be used with :doc:`fix atc hardy <fix_atc>`.
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
Default
"""""""
By default, on-the-fly calculation is not active (i.e. off). However,
THE code does a memory allocation check to determine if it can store all
needed bond and kernel matrix elements. If this allocation fails,
on-the-fly will be activated.

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doc/src/fix_atc.rst
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* :doc:`fix_modify AtC gradients <atc_hardy_gradients>`
* :doc:`fix_modify AtC rates <atc_hardy_rates>`
* :doc:`fix_modify AtC computes <atc_hardy_computes>`
* `fix_modify AtC on_the_fly <USER/atc/man_hardy_on_the_fly.html>`_
* :doc:`fix_modify AtC on_the_fly <atc_hardy_on_the_fly>`
* `fix_modify AtC pair_interactions/bond_interactions <USER/atc/man_pair_interactions.html>`_
* `fix_modify AtC sample_frequency <USER/atc/man_sample_frequency.html>`_
* `fix_modify AtC set <USER/atc/man_set.html>`_