Unverified Commit 6f78dd68 authored by Richard Berger's avatar Richard Berger
Browse files

Minor doc changes & rename store_contacts to contacts

parent ff6675e4
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+28 −28
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 ... [store_contacts]
   fix ID group-ID wall/gran fstyle fstyle_params wallstyle args keyword values ...

* 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* or *store_contacts*
* keyword = *wiggle* or *shear* or *contacts*

  .. parsed-literal::

@@ -56,7 +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
      *contacts* value = none
         store contact information for each particle colliding with wall


Examples
@@ -70,7 +71,7 @@ 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
   fix 6 all wall/gran hooke  200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0 contacts

Description
"""""""""""
@@ -185,30 +186,29 @@ 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.

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                           |
+-------+----------------------------------------------------+
If the :code:`contacts` option is used, this fix will store the contact
information for each atom that interacts with the wall as per-atom array with 8
columns. The values of these columns are listed in the following table:

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

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
+1 −1
Original line number Diff line number Diff line
@@ -370,7 +370,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
      vshear = force->numeric(FLERR,arg[iarg+2]);
      wshear = 1;
      iarg += 3;
    } else if (strcmp(arg[iarg],"store_contacts") == 0) {
    } else if (strcmp(arg[iarg],"contacts") == 0) {
      peratom_flag = 1;
      size_peratom_cols = 8;
      peratom_freq = 1;