diff --git a/doc/src/fix_wall_gran.rst b/doc/src/fix_wall_gran.rst index daf3152c34..101be2be83 100644 --- a/doc/src/fix_wall_gran.rst +++ b/doc/src/fix_wall_gran.rst @@ -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 ` 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 ` options are relevant to this -fix. No global or per-atom quantities are stored by this fix for -access by various :doc:`output commands `. No parameter -of this fix can be used with the *start/stop* keywords of the -:doc:`run ` command. This fix is not invoked during :doc:`energy minimization `. +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 `: + ++-------+----------------------------------------------------+ +| 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 ` options are relevant to this fix. +No parameter of this fix can be used with the *start/stop* keywords of the +:doc:`run ` command. This fix is not invoked during :doc:`energy +minimization `. Restrictions """""""""""" diff --git a/doc/src/fix_wall_gran_region.rst b/doc/src/fix_wall_gran_region.rst index 620baa0942..75cd350eab 100644 --- a/doc/src/fix_wall_gran_region.rst +++ b/doc/src/fix_wall_gran_region.rst @@ -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 ` command * wall/region = style name of this fix command @@ -36,6 +36,7 @@ Syntax * wallstyle = region (see :doc:`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 ` options are relevant to this -fix. No global or per-atom quantities are stored by this fix for -access by various :doc:`output commands `. No parameter -of this fix can be used with the *start/stop* keywords of the -:doc:`run ` command. This fix is not invoked during :doc:`energy minimization `. +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 `: + ++-------+----------------------------------------------------+ +| 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 ` options are relevant to this fix. +No parameter of this fix can be used with the *start/stop* keywords of the +:doc:`run ` command. This fix is not invoked during :doc:`energy +minimization `. Restrictions """"""""""""