Unverified Commit ff6675e4 authored by Richard Berger's avatar Richard Berger
Browse files

Update docs for fix wall/gran and wall/gran/region

parent f5ea01e9
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+35 −7
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ Syntax

.. parsed-literal::

   fix ID group-ID wall/gran fstyle fstyle_params wallstyle args keyword values ...
   fix ID group-ID wall/gran fstyle fstyle_params wallstyle args keyword values ... [store_contacts]

* ID, group-ID are documented in :doc:`fix <fix>` command
* wall/gran = style name of this fix command
@@ -45,7 +45,7 @@ Syntax
         radius = cylinder radius (distance units)

* zero or more keyword/value pairs may be appended to args
* keyword = *wiggle* or *shear*
* keyword = *wiggle* or *shear* or *store_contacts*

  .. parsed-literal::

@@ -56,6 +56,8 @@ Syntax
       *shear* values = dim vshear
         dim = *x* or *y* or *z*
         vshear = magnitude of shear velocity (velocity units)
      *store_contacts* = store contact information for each particle colliding with wall


Examples
""""""""
@@ -68,6 +70,7 @@ Examples
   fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox
   fix 4 all wall/gran/region granular jkr 1e5 1500.0 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall region myCone
   fix 5 all wall/gran/region granular dmt 1e5 0.2 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall damping tsuji region myCone
   fix 6 all wall/gran hooke  200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0 store_contacts

Description
"""""""""""
@@ -171,6 +174,7 @@ the clockwise direction for *vshear* > 0 or counter-clockwise for
*vshear* < 0.  In this case, *vshear* is the tangential velocity of
the wall at whatever *radius* has been defined.


**Restart, fix_modify, output, run start/stop, minimize info:**

This fix writes the shear friction state of atoms interacting with the
@@ -181,11 +185,35 @@ info on how to re-specify a fix in an input script that reads a
restart file, so that the operation of the fix continues in an
uninterrupted fashion.

None of the :doc:`fix_modify <fix_modify>` options are relevant to this
fix.  No global or per-atom quantities are stored by this fix for
access by various :doc:`output commands <Howto_output>`.  No parameter
of this fix can be used with the *start/stop* keywords of the
:doc:`run <run>` command.  This fix is not invoked during :doc:`energy minimization <minimize>`.
If the :code:`store_contacts` option is used, this fix will store the contact
information for each atom that interacts with the wall. The following table
summarizes which values are available as per-atom quantities
(:code:`f_FIXID[Index]`) to access by various :doc:`output commands <Howto_output>`:

+-------+----------------------------------------------------+
| Index | Value                                              |
+=======+====================================================+
|     1 | Atom ID                                            |
+-------+----------------------------------------------------+
|     2 | Force :math:`f_x` exerted on the wall              |
+-------+----------------------------------------------------+
|     3 | Force :math:`f_y` exerted on the wall              |
+-------+----------------------------------------------------+
|     4 | Force :math:`f_z` exerted on the wall              |
+-------+----------------------------------------------------+
|     5 | :math:`\Delta x` between wall surface and particle |
+-------+----------------------------------------------------+
|     6 | :math:`\Delta y` between wall surface and particle |
+-------+----------------------------------------------------+
|     7 | :math:`\Delta z` between wall surface and particle |
+-------+----------------------------------------------------+
|     8 | Radius :math:`r` of atom                           |
+-------+----------------------------------------------------+

None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix.
No parameter of this fix can be used with the *start/stop* keywords of the
:doc:`run <run>` command. This fix is not invoked during :doc:`energy
minimization <minimize>`.

Restrictions
""""""""""""
+32 −6
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ Syntax

.. parsed-literal::

   fix ID group-ID wall/gran/region fstyle fstyle_params wallstyle regionID
   fix ID group-ID wall/gran/region fstyle fstyle_params wallstyle regionID [store_contacts]

* ID, group-ID are documented in :doc:`fix <fix>` command
* wall/region = style name of this fix command
@@ -36,6 +36,7 @@ Syntax

* wallstyle = region (see :doc:`fix wall/gran <fix_wall_gran>` for options for other kinds of walls)
* region-ID = region whose boundary will act as wall
* store_contacts = store contact information for each particle colliding with wall

Examples
""""""""
@@ -46,6 +47,7 @@ Examples
   fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox
   fix 4 all wall/gran/region granular jkr 1e5 1500.0 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall region myCone
   fix 5 all wall/gran/region granular dmt 1e5 0.2 0.3 10.0 tangential mindlin NULL 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall damping tsuji region myCone
   fix wall all wall/gran/region hooke/history 1000.0 200.0 200.0 100.0 0.5 1 region myCone store_contacts

Description
"""""""""""
@@ -215,11 +217,35 @@ uninterrupted fashion.
   use the same fix ID for fix wall/gran/region, but assign it a region
   with a different region ID.

None of the :doc:`fix_modify <fix_modify>` options are relevant to this
fix.  No global or per-atom quantities are stored by this fix for
access by various :doc:`output commands <Howto_output>`.  No parameter
of this fix can be used with the *start/stop* keywords of the
:doc:`run <run>` command.  This fix is not invoked during :doc:`energy minimization <minimize>`.
If the :code:`store_contacts` option is used, this fix will store the contact
information for each atom that interacts with the wall. The following table
summarizes which values are available as per-atom quantities
(:code:`f_FIXID[Index]`) to access by various :doc:`output commands <Howto_output>`:

+-------+----------------------------------------------------+
| Index | Value                                              |
+=======+====================================================+
|     1 | Atom ID                                            |
+-------+----------------------------------------------------+
|     2 | Force :math:`f_x` exerted on the wall              |
+-------+----------------------------------------------------+
|     3 | Force :math:`f_y` exerted on the wall              |
+-------+----------------------------------------------------+
|     4 | Force :math:`f_z` exerted on the wall              |
+-------+----------------------------------------------------+
|     5 | :math:`\Delta x` between wall surface and particle |
+-------+----------------------------------------------------+
|     6 | :math:`\Delta y` between wall surface and particle |
+-------+----------------------------------------------------+
|     7 | :math:`\Delta z` between wall surface and particle |
+-------+----------------------------------------------------+
|     8 | Radius :math:`r` of atom                           |
+-------+----------------------------------------------------+

None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix.
No parameter of this fix can be used with the *start/stop* keywords of the
:doc:`run <run>` command. This fix is not invoked during :doc:`energy
minimization <minimize>`.

Restrictions
""""""""""""