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

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This commit is contained in:
Richard Berger
2020-06-01 12:00:27 -04:00
parent f5ea01e901
commit ff6675e4d8
2 changed files with 67 additions and 13 deletions
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42
doc/src/fix_wall_gran.rst
View File

@ -8,7 +8,7 @@ Syntax
.. parsed-literal:: .. 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 * ID, group-ID are documented in :doc:`fix <fix>` command
* wall/gran = style name of this fix command * wall/gran = style name of this fix command
@ -45,7 +45,7 @@ Syntax
radius = cylinder radius (distance units) radius = cylinder radius (distance units)
* zero or more keyword/value pairs may be appended to args * zero or more keyword/value pairs may be appended to args
* keyword = *wiggle* or *shear* * keyword = *wiggle* or *shear* or *store_contacts*
.. parsed-literal:: .. parsed-literal::
@ -56,6 +56,8 @@ Syntax
*shear* values = dim vshear *shear* values = dim vshear
dim = *x* or *y* or *z* dim = *x* or *y* or *z*
vshear = magnitude of shear velocity (velocity units) vshear = magnitude of shear velocity (velocity units)
*store_contacts* = store contact information for each particle colliding with wall
Examples 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 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 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 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 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 *vshear* < 0. In this case, *vshear* is the tangential velocity of
the wall at whatever *radius* has been defined. the wall at whatever *radius* has been defined.
**Restart, fix_modify, output, run start/stop, minimize info:** **Restart, fix_modify, output, run start/stop, minimize info:**
This fix writes the shear friction state of atoms interacting with the 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 restart file, so that the operation of the fix continues in an
uninterrupted fashion. uninterrupted fashion.
None of the :doc:`fix_modify <fix_modify>` options are relevant to this If the :code:`store_contacts` option is used, this fix will store the contact
fix. No global or per-atom quantities are stored by this fix for information for each atom that interacts with the wall. The following table
access by various :doc:`output commands <Howto_output>`. No parameter summarizes which values are available as per-atom quantities
of this fix can be used with the *start/stop* keywords of the (:code:`f_FIXID[Index]`) to access by various :doc:`output commands <Howto_output>`:
:doc:`run <run>` command. This fix is not invoked during :doc:`energy minimization <minimize>`.
+-------+----------------------------------------------------+
| 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 Restrictions
"""""""""""" """"""""""""

38
doc/src/fix_wall_gran_region.rst
View File

@ -8,7 +8,7 @@ Syntax
.. parsed-literal:: .. 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 * ID, group-ID are documented in :doc:`fix <fix>` command
* wall/region = style name of this 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) * 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 * region-ID = region whose boundary will act as wall
* store_contacts = store contact information for each particle colliding with wall
Examples 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 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 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 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 Description
""""""""""" """""""""""
@ -215,11 +217,35 @@ uninterrupted fashion.
use the same fix ID for fix wall/gran/region, but assign it a region use the same fix ID for fix wall/gran/region, but assign it a region
with a different region ID. with a different region ID.
None of the :doc:`fix_modify <fix_modify>` options are relevant to this If the :code:`store_contacts` option is used, this fix will store the contact
fix. No global or per-atom quantities are stored by this fix for information for each atom that interacts with the wall. The following table
access by various :doc:`output commands <Howto_output>`. No parameter summarizes which values are available as per-atom quantities
of this fix can be used with the *start/stop* keywords of the (:code:`f_FIXID[Index]`) to access by various :doc:`output commands <Howto_output>`:
:doc:`run <run>` command. This fix is not invoked during :doc:`energy minimization <minimize>`.
+-------+----------------------------------------------------+
| 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 Restrictions
"""""""""""" """"""""""""