forked from lijiext/lammps
some more converted atc fix_modify docs
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.. index:: fix_modify AtC mesh output
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fix_modify AtC mesh output 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> mesh output <file_prefix>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* mesh output = name of the AtC sub-command
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* file_prefix = prefix of various generated output files
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC mesh output meshData
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Description
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"""""""""""
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Command to output mesh and associated data: nodesets, facesets, and
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elementsets. This data is only output once upon initialization since
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currently the mesh is static. Creates binary (EnSight, "gold" format)
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output of mesh data.
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Restrictions
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""""""""""""
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None.
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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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None.
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@ -16,11 +16,13 @@ Syntax
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* filename_prefix = prefix for data files (for *output*)
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* frequency = frequency of output in time-steps (for *output*)
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* optional keywords for *output*:
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- text = creates text output of index, step and nodal variable values for unique nodes
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- full_text = creates text output index, nodal id, step, nodal coordinates and nodal variable values for unique and image nodes
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- binary = creates binary EnSight output
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- vector_components = outputs vectors as scalar components
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- tensor_components = outputs tensor as scalar components (for use with ParaView)
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* *step* or *time* = index output by step or by time (for *output index*)
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.. index:: fix_modify AtC output boundary_integral
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fix_modify AtC output boundary_integral 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> output boundary_integral <fieldname> faceset [name]
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* output boundary_integral = name of the AtC sub-command
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* fieldname = name of hardy field
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* faceset = required keyword
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* name= name of faceset
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC output boundary_integral stress faceset loop1
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Description
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"""""""""""
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Calculates a surface integral of the given field dotted with the outward
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normal of the faces and puts output in the "GLOBALS" file.
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Restrictions
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""""""""""""
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Must be used with the hardy/field type of :doc:`fix atc <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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None.
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@ -0,0 +1,48 @@
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.. index:: fix_modify AtC output contour_integral
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fix_modify AtC output contour_integral 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> output contour_integral <fieldname> faceset <name> [axis [x|y|z]]
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* output contour_integral = name of the AtC sub-command
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* fieldname = name of hardy field
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* faceset = required keyword
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* name = name of faceset
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* *axis x* or *axis y* or *axis z* = (optional)
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC output contour_integral stress faceset loop1
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Description
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"""""""""""
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Calculates a surface integral of the given field dotted with the outward
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normal of the faces and puts output in the "GLOBALS" file.
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Restrictions
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""""""""""""
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Must be used with the hardy/field type of :doc:`fix atc <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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None.
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.. index:: fix_modify AtC output nodeset
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fix_modify AtC output nodeset 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> output nodeset <nodeset_name> <operation>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* output nodeset = name of the AtC sub-command
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* nodeset_name= name of nodeset to be operated on
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* operation = *sum*
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* *sum* = creates nodal sum over nodes in specified nodeset
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC output nodeset nset1 sum
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Description
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"""""""""""
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Performs operation over the nodes belonging to specified nodeset and
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outputs resulting variable values to GLOBALS file.
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Restrictions
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""""""""""""
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None.
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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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- :doc:`fix atc command <fix_atc>`
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Default
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"""""""
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None.
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@ -0,0 +1,47 @@
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.. index:: fix_modify AtC output volume_integral
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fix_modify AtC output volume_integral 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> output volume_integral <elementset_name> <field>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* output volume_integral = name of the AtC sub-command
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* elementset_name= name of elementset to be integrated over
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* fieldname = name of field to integrate
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC output volume_integral eset1 mass_density
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Description
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"""""""""""
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Performs volume integration of specified field over elementset and
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outputs resulting variable values to GLOBALS file.
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Restrictions
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""""""""""""
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None.
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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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- :doc:`fix atc command <fix_atc>`
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Default
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"""""""
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None.
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@ -0,0 +1,48 @@
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.. index:: fix_modify AtC read_restart
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fix_modify AtC read_restart 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> read_restart <file_name>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* read_restart = name of the AtC sub-command
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* file_name = name of AtC restart file
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC read_restart restart.mydata.AtC
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Description
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"""""""""""
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Reads the current state of the AtC fields from a named text-based restart file.
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Restrictions
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""""""""""""
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The restart file only contains fields and their time derivatives. The
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reference positions of the atoms and the commands that initialize the
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fix are not saved e.g. an identical mesh containing the same atoms will
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have to be recreated.
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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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- :doc:`fix_modify AtC write_restart <atc_write_restart>`
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Default
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"""""""
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None.
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.. index:: fix_modify AtC write_restart
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fix_modify AtC write_restart 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> write_restart <file_name>
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* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
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* write_restart = name of the AtC sub-command
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* file_name = name of AtC restart file
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Examples
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""""""""
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.. code-block:: LAMMPS
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fix_modify AtC write_restart restart.mydata.AtC
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Description
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"""""""""""
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Dumps the current state of the fields to a named text-based restart
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file. This done when the command is invoked and not repeated, unlike
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the otherwise similar LAMMPS command.
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Restrictions
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""""""""""""
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None.
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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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- :doc:`fix_modify AtC read_restart <atc_read_restart>`
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Default
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"""""""
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None.
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@ -18,8 +18,8 @@ Syntax
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*thermal* = thermal coupling with fields: temperature
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*two_temperature* = electron-phonon coupling with field: temperature and electron_temperature
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*hardy* = on-the-fly post-processing using kernel localization functions (see "related" section for possible fields)
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*field* = on-the-fly post-processing using mesh-based localization functions (see "related" section for possible fields)
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*hardy* = on-the-fly post-processing using kernel localization functions
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*field* = on-the-fly post-processing using mesh-based localization functions
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* parameter_file = name of the file with material parameters. Note: Neither hardy nor field requires a parameter file
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*fix_modify* commands for output:
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* :doc:`fix_modify AtC output <atc_output>`
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* `fix_modify AtC output nodeset <USER/atc/man_output_nodeset.html>`_
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* `fix_modify AtC output elementset <USER/atc/man_output_elementset.html>`_
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* `fix_modify AtC output boundary_integral <USER/atc/man_boundary_integral.html>`_
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* `fix_modify AtC output contour_integral <USER/atc/man_contour_integral.html>`_
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* `fix_modify AtC mesh output <USER/atc/man_mesh_output.html>`_
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* `fix_modify AtC write_restart <USER/atc/man_write_restart.html>`_
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* `fix_modify AtC read_restart <USER/atc/man_read_restart.html>`_
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* :doc:`fix_modify AtC output nodeset <atc_output_nodeset>`
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* :doc:`fix_modify AtC output volume_integral <atc_output_volume_integral>`
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* :doc:`fix_modify AtC output boundary_integral <atc_output_boundary_integral>`
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* :doc:`fix_modify AtC output contour_integral <atc_output_contour_integral>`
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* :doc:`fix_modify AtC mesh output <atc_mesh_output>`
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* :doc:`fix_modify AtC write_restart <atc_write_restart>`
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* :doc:`fix_modify AtC read_restart <atc_read_restart>`
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*fix_modify* commands for post-processing:
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