some more converted atc fix_modify docs

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Axel Kohlmeyer 2020-03-18 00:27:14 -04:00
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.. index:: fix_modify AtC mesh output
fix_modify AtC mesh output command
==================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> mesh output <file_prefix>
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* mesh output = name of the AtC sub-command
* file_prefix = prefix of various generated output files
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC mesh output meshData
Description
"""""""""""
Command to output mesh and associated data: nodesets, facesets, and
elementsets. This data is only output once upon initialization since
currently the mesh is static. Creates binary (EnSight, "gold" format)
output of mesh data.
Restrictions
""""""""""""
None.
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
Default
"""""""
None.

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@ -16,11 +16,13 @@ Syntax
* filename_prefix = prefix for data files (for *output*)
* frequency = frequency of output in time-steps (for *output*)
* optional keywords for *output*:
- text = creates text output of index, step and nodal variable values for unique nodes
- full_text = creates text output index, nodal id, step, nodal coordinates and nodal variable values for unique and image nodes
- binary = creates binary EnSight output
- vector_components = outputs vectors as scalar components
- tensor_components = outputs tensor as scalar components (for use with ParaView)
* *step* or *time* = index output by step or by time (for *output index*)

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.. index:: fix_modify AtC output boundary_integral
fix_modify AtC output boundary_integral command
===============================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> output boundary_integral <fieldname> faceset [name]
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* output boundary_integral = name of the AtC sub-command
* fieldname = name of hardy field
* faceset = required keyword
* name= name of faceset
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC output boundary_integral stress faceset loop1
Description
"""""""""""
Calculates a surface integral of the given field dotted with the outward
normal of the faces and puts output in the "GLOBALS" file.
Restrictions
""""""""""""
Must be used with the hardy/field type of :doc:`fix atc <fix_atc>`
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
Default
"""""""
None.

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.. index:: fix_modify AtC output contour_integral
fix_modify AtC output contour_integral command
==============================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> output contour_integral <fieldname> faceset <name> [axis [x|y|z]]
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* output contour_integral = name of the AtC sub-command
* fieldname = name of hardy field
* faceset = required keyword
* name = name of faceset
* *axis x* or *axis y* or *axis z* = (optional)
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC output contour_integral stress faceset loop1
Description
"""""""""""
Calculates a surface integral of the given field dotted with the outward
normal of the faces and puts output in the "GLOBALS" file.
Restrictions
""""""""""""
Must be used with the hardy/field type of :doc:`fix atc <fix_atc>`
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
Default
"""""""
None.

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.. index:: fix_modify AtC output nodeset
fix_modify AtC output nodeset command
=====================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> output nodeset <nodeset_name> <operation>
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* output nodeset = name of the AtC sub-command
* nodeset_name= name of nodeset to be operated on
* operation = *sum*
* *sum* = creates nodal sum over nodes in specified nodeset
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC output nodeset nset1 sum
Description
"""""""""""
Performs operation over the nodes belonging to specified nodeset and
outputs resulting variable values to GLOBALS file.
Restrictions
""""""""""""
None.
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
- :doc:`fix atc command <fix_atc>`
Default
"""""""
None.

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.. index:: fix_modify AtC output volume_integral
fix_modify AtC output volume_integral command
=============================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> output volume_integral <elementset_name> <field>
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* output volume_integral = name of the AtC sub-command
* elementset_name= name of elementset to be integrated over
* fieldname = name of field to integrate
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC output volume_integral eset1 mass_density
Description
"""""""""""
Performs volume integration of specified field over elementset and
outputs resulting variable values to GLOBALS file.
Restrictions
""""""""""""
None.
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
- :doc:`fix atc command <fix_atc>`
Default
"""""""
None.

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.. index:: fix_modify AtC read_restart
fix_modify AtC read_restart command
===================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> read_restart <file_name>
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* read_restart = name of the AtC sub-command
* file_name = name of AtC restart file
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC read_restart restart.mydata.AtC
Description
"""""""""""
Reads the current state of the AtC fields from a named text-based restart file.
Restrictions
""""""""""""
The restart file only contains fields and their time derivatives. The
reference positions of the atoms and the commands that initialize the
fix are not saved e.g. an identical mesh containing the same atoms will
have to be recreated.
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
- :doc:`fix_modify AtC write_restart <atc_write_restart>`
Default
"""""""
None.

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.. index:: fix_modify AtC write_restart
fix_modify AtC write_restart command
====================================
Syntax
""""""
.. parsed-literal::
fix_modify <AtC fixID> write_restart <file_name>
* AtC fixID = ID of :doc:`fix atc <fix_atc>` instance
* write_restart = name of the AtC sub-command
* file_name = name of AtC restart file
Examples
""""""""
.. code-block:: LAMMPS
fix_modify AtC write_restart restart.mydata.AtC
Description
"""""""""""
Dumps the current state of the fields to a named text-based restart
file. This done when the command is invoked and not repeated, unlike
the otherwise similar LAMMPS command.
Restrictions
""""""""""""
None.
Related AtC commands
""""""""""""""""""""
- :ref:`fix_modify AtC command overview <atc_fix_modify>`
- :doc:`fix_modify AtC read_restart <atc_read_restart>`
Default
"""""""
None.

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@ -18,8 +18,8 @@ Syntax
*thermal* = thermal coupling with fields: temperature
*two_temperature* = electron-phonon coupling with field: temperature and electron_temperature
*hardy* = on-the-fly post-processing using kernel localization functions (see "related" section for possible fields)
*field* = on-the-fly post-processing using mesh-based localization functions (see "related" section for possible fields)
*hardy* = on-the-fly post-processing using kernel localization functions
*field* = on-the-fly post-processing using mesh-based localization functions
* parameter_file = name of the file with material parameters. Note: Neither hardy nor field requires a parameter file
@ -196,13 +196,13 @@ conditions.
*fix_modify* commands for output:
* :doc:`fix_modify AtC output <atc_output>`
* `fix_modify AtC output nodeset <USER/atc/man_output_nodeset.html>`_
* `fix_modify AtC output elementset <USER/atc/man_output_elementset.html>`_
* `fix_modify AtC output boundary_integral <USER/atc/man_boundary_integral.html>`_
* `fix_modify AtC output contour_integral <USER/atc/man_contour_integral.html>`_
* `fix_modify AtC mesh output <USER/atc/man_mesh_output.html>`_
* `fix_modify AtC write_restart <USER/atc/man_write_restart.html>`_
* `fix_modify AtC read_restart <USER/atc/man_read_restart.html>`_
* :doc:`fix_modify AtC output nodeset <atc_output_nodeset>`
* :doc:`fix_modify AtC output volume_integral <atc_output_volume_integral>`
* :doc:`fix_modify AtC output boundary_integral <atc_output_boundary_integral>`
* :doc:`fix_modify AtC output contour_integral <atc_output_contour_integral>`
* :doc:`fix_modify AtC mesh output <atc_mesh_output>`
* :doc:`fix_modify AtC write_restart <atc_write_restart>`
* :doc:`fix_modify AtC read_restart <atc_read_restart>`
*fix_modify* commands for post-processing: