forked from lijiext/lammps
Minor doc changes & rename store_contacts to contacts
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@ -8,7 +8,7 @@ Syntax
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.. parsed-literal::
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.. parsed-literal::
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fix ID group-ID wall/gran fstyle fstyle_params wallstyle args keyword values ... [store_contacts]
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fix ID group-ID wall/gran fstyle fstyle_params wallstyle args keyword values ...
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* wall/gran = style name of this fix command
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* wall/gran = style name of this fix command
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@ -45,7 +45,7 @@ Syntax
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radius = cylinder radius (distance units)
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radius = cylinder radius (distance units)
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* zero or more keyword/value pairs may be appended to args
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* zero or more keyword/value pairs may be appended to args
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* keyword = *wiggle* or *shear* or *store_contacts*
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* keyword = *wiggle* or *shear* or *contacts*
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.. parsed-literal::
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.. parsed-literal::
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@ -56,7 +56,8 @@ Syntax
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*shear* values = dim vshear
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*shear* values = dim vshear
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dim = *x* or *y* or *z*
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dim = *x* or *y* or *z*
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vshear = magnitude of shear velocity (velocity units)
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vshear = magnitude of shear velocity (velocity units)
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*store_contacts* = store contact information for each particle colliding with wall
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*contacts* value = none
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store contact information for each particle colliding with wall
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Examples
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Examples
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@ -70,7 +71,7 @@ Examples
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fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox
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fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox
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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
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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
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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
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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
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fix 6 all wall/gran hooke 200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0 store_contacts
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fix 6 all wall/gran hooke 200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0 contacts
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Description
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Description
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"""""""""""
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"""""""""""
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@ -185,30 +186,29 @@ info on how to re-specify a fix in an input script that reads a
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restart file, so that the operation of the fix continues in an
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restart file, so that the operation of the fix continues in an
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uninterrupted fashion.
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uninterrupted fashion.
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If the :code:`store_contacts` option is used, this fix will store the contact
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If the :code:`contacts` option is used, this fix will store the contact
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information for each atom that interacts with the wall. The following table
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information for each atom that interacts with the wall as per-atom array with 8
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summarizes which values are available as per-atom quantities
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columns. The values of these columns are listed in the following table:
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(:code:`f_FIXID[Index]`) to access by various :doc:`output commands <Howto_output>`:
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| Index | Value |
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| Index | Value | Units |
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+=======+====================================================+
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+=======+====================================================+================+
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| 1 | Atom ID |
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| 1 | Atom ID | |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 2 | Force :math:`f_x` exerted on the wall |
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| 2 | Force :math:`f_x` exerted on the wall | force units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 3 | Force :math:`f_y` exerted on the wall |
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| 3 | Force :math:`f_y` exerted on the wall | force units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 4 | Force :math:`f_z` exerted on the wall |
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| 4 | Force :math:`f_z` exerted on the wall | force units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 5 | :math:`\Delta x` between wall surface and particle |
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| 5 | :math:`\Delta x` between wall surface and particle | distance units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 6 | :math:`\Delta y` between wall surface and particle |
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| 6 | :math:`\Delta y` between wall surface and particle | distance units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 7 | :math:`\Delta z` between wall surface and particle |
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| 7 | :math:`\Delta z` between wall surface and particle | distance units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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| 8 | Radius :math:`r` of atom |
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| 8 | Radius :math:`r` of atom | distance units |
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+-------+----------------------------------------------------+
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+-------+----------------------------------------------------+----------------+
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None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix.
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None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix.
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No parameter of this fix can be used with the *start/stop* keywords of the
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No parameter of this fix can be used with the *start/stop* keywords of the
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@ -370,7 +370,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
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vshear = force->numeric(FLERR,arg[iarg+2]);
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vshear = force->numeric(FLERR,arg[iarg+2]);
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wshear = 1;
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wshear = 1;
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iarg += 3;
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iarg += 3;
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} else if (strcmp(arg[iarg],"store_contacts") == 0) {
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} else if (strcmp(arg[iarg],"contacts") == 0) {
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peratom_flag = 1;
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peratom_flag = 1;
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size_peratom_cols = 8;
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size_peratom_cols = 8;
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peratom_freq = 1;
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peratom_freq = 1;
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