diff --git a/doc/src/atc_hardy_on_the_fly.rst b/doc/src/atc_hardy_on_the_fly.rst index 0aa186f219..fe7c688387 100644 --- a/doc/src/atc_hardy_on_the_fly.rst +++ b/doc/src/atc_hardy_on_the_fly.rst @@ -8,7 +8,7 @@ Syntax .. parsed-literal:: - fix_modify on_the_fly on_the_fly + fix_modify on_the_fly * AtC fixID = ID of :doc:`fix atc ` instance * on_the_fly = name of the AtC sub-command diff --git a/doc/src/atc_pair_interactions.rst b/doc/src/atc_pair_interactions.rst new file mode 100644 index 0000000000..73ada09001 --- /dev/null +++ b/doc/src/atc_pair_interactions.rst @@ -0,0 +1,47 @@ +.. index:: fix_modify AtC pair_interactions + +fix_modify AtC pair_interactions command +======================================== + +fix_modify AtC bond_interactions command +======================================== + +Syntax +"""""" + +.. parsed-literal:: + + fix_modify pair_interactions + fix_modify bond_interactions + +* AtC fixID = ID of :doc:`fix atc ` instance +* *pair_interactions* or *bond_interactions* = name of the AtC sub-command +* *on* or *off* = activate or deactivate + +Examples +"""""""" + +.. code-block:: LAMMPS + + fix_modify AtC pair_interactions off + fix_modify AtC bond_interactions on + +Description +""""""""""" + +Include bonds and/or pairs in stress and heat flux computations. + +Restrictions +"""""""""""" + +None. + +Related AtC commands +"""""""""""""""""""" + +- :ref:`fix_modify AtC command overview ` + +Default +""""""" + +*pair_interactions*\ : on, *bond_interactions*\ : off diff --git a/doc/src/atc_sample_frequency.rst b/doc/src/atc_sample_frequency.rst new file mode 100644 index 0000000000..5b0da6d9dd --- /dev/null +++ b/doc/src/atc_sample_frequency.rst @@ -0,0 +1,44 @@ +.. index:: fix_modify AtC sample_frequency + +fix_modify AtC sample_frequency command +======================================= + +Syntax +"""""" + +.. parsed-literal:: + + fix_modify sample_frequency + +* AtC fixID = ID of :doc:`fix atc ` instance +* sample_frequency = name of the AtC sub-command +* freq = frequency to sample fields in number of steps + +Examples +"""""""" + +.. code-block:: LAMMPS + + fix_modify AtC sample_frequency 10 + +Description +""""""""""" + +Specifies a frequency at which fields are computed for the case where +time filters are being applied. + +Restrictions +"""""""""""" + +Must be used with :doc:`fix atc hardy ` and is only relevant when time filters are being used. + +Related AtC commands +"""""""""""""""""""" + +- :ref:`fix_modify AtC command overview ` + +Default +""""""" + +None. + diff --git a/doc/src/atc_set_reference_pe.rst b/doc/src/atc_set_reference_pe.rst new file mode 100644 index 0000000000..ff4d95526f --- /dev/null +++ b/doc/src/atc_set_reference_pe.rst @@ -0,0 +1,50 @@ +.. index:: fix_modify AtC set reference_potential_energy + +fix_modify AtC set reference_potential_energy command +===================================================== + +Syntax +"""""" + +.. parsed-literal:: + + fix_modify set reference_potential_energy [] + +* AtC fixID = ID of :doc:`fix atc ` instance +* set reference_potential_energy = name of the AtC sub-command +* value = optional user specified zero point for PE in native LAMMPS energy units +* filename = optional user specified string for file of nodal PE values to be read-in + +Examples +"""""""" + +.. code-block:: LAMMPS + + fix_modify AtC set reference_potential_energy + fix_modify AtC set reference_potential_energy -0.05 + fix_modify AtC set reference_potential_energy myPEvalues + +Description +""""""""""" + +Used to set various quantities for the post-processing algorithms. It +sets the zero point for the potential energy density using the value +provided for all nodes, or from the current configuration of the lattice +if no value is provided, or values provided within the specified +filename. + +Restrictions +"""""""""""" + +Must be used with :doc:`fix atc hardy ` or :doc:`fix atc field `. + +Related AtC commands +"""""""""""""""""""" + +- :ref:`fix_modify AtC command overview ` + +Default +""""""" + +Defaults to the LAMMPS zero point i.e. isolated atoms. + diff --git a/doc/src/fix_atc.rst b/doc/src/fix_atc.rst index 902c336706..0b4c9d618c 100644 --- a/doc/src/fix_atc.rst +++ b/doc/src/fix_atc.rst @@ -212,9 +212,9 @@ conditions. * :doc:`fix_modify AtC rates ` * :doc:`fix_modify AtC computes ` * :doc:`fix_modify AtC on_the_fly ` -* `fix_modify AtC pair_interactions/bond_interactions `_ -* `fix_modify AtC sample_frequency `_ -* `fix_modify AtC set `_ +* :doc:`fix_modify AtC pair/bond_interactions ` +* :doc:`fix_modify AtC sample_frequency ` +* :doc:`fix_modify AtC set ` miscellaneous *fix_modify* commands: