diff --git a/doc/src/atc_hardy_on_the_fly.rst b/doc/src/atc_hardy_on_the_fly.rst new file mode 100644 index 0000000000..0aa186f219 --- /dev/null +++ b/doc/src/atc_hardy_on_the_fly.rst @@ -0,0 +1,54 @@ +.. index:: fix_modify AtC on_the_fly + +fix_modify AtC on_the_fly command +================================= + +Syntax +"""""" + +.. parsed-literal:: + + fix_modify on_the_fly on_the_fly + +* AtC fixID = ID of :doc:`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 `. + +Related AtC commands +"""""""""""""""""""" + +- :ref:`fix_modify AtC command overview ` + +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. + diff --git a/doc/src/fix_atc.rst b/doc/src/fix_atc.rst index 19e4cffbbb..902c336706 100644 --- a/doc/src/fix_atc.rst +++ b/doc/src/fix_atc.rst @@ -211,7 +211,7 @@ conditions. * :doc:`fix_modify AtC gradients ` * :doc:`fix_modify AtC rates ` * :doc:`fix_modify AtC computes ` -* `fix_modify AtC on_the_fly `_ +* :doc:`fix_modify AtC on_the_fly ` * `fix_modify AtC pair_interactions/bond_interactions `_ * `fix_modify AtC sample_frequency `_ * `fix_modify AtC set `_