fix doc for fix propel/self to sphinx system
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@ -155,6 +155,7 @@ OPT.
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* :doc:`precession/spin <fix_precession_spin>`
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* :doc:`press/berendsen <fix_press_berendsen>`
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* :doc:`print <fix_print>`
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* :doc:`propel/self <fix_propel_self>`
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* :doc:`property/atom (k) <fix_property_atom>`
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* :doc:`python/invoke <fix_python_invoke>`
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* :doc:`python/move <fix_python_move>`
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@ -237,4 +238,3 @@ OPT.
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* :doc:`wall/region/ees <fix_wall_ees>`
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* :doc:`wall/srd <fix_wall_srd>`
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*
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*
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109
doc/src/fix_propel_self.rst
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109
doc/src/fix_propel_self.rst
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@ -0,0 +1,109 @@
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.. index:: fix propel/self
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fix propel/self command
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=======================
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Syntax
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""""""
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fix ID group-ID propel/self mode magnitude keyword values ...
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* propel/self = style name of this fix command
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* mode = velocity or quaternion
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* magnitude = magnitude of the active force
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* one or more keyword/value pairs may be appended to args
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* keyword = *types*
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*types* values = one or more atom types
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Examples
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""""""""
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.. parsed-literal::
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fix active_group all propel/self velocity 1.0
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fix constant_velocity all viscous 1.0
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fix active_group all propel/self quaternion 1.0
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fix active all propel/self quaternion 1.0 types 1 2 4
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Description
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"""""""""""
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Adds a force of a constant magnitude to each atom in the group. The nature in
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which the force is added depends on the mode.
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For mode = velocity, the active force acts along the velocity vector of each atom. This can
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be interpreted as a velocity-dependent friction, such as proposed by :ref:`(Erdmann) <Erdmann>`.
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For mode = quaternion the force is along the axis obtained by rotating the x-axis along the
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atom's quaternion. In other words, the force is along the x-axis in the atom's body
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frame. This mode requires all atoms in the group to have a quaternion, so atom\_style should
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either be ellipsoid or body. In combination with Langevin thermostat for translation and
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rotation in the overdamped regime, the quaternion mode corresponds to the active Brownian
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particle model introduced by :ref:`(Henkes) <Henkes>`, :ref:`(Bialke) <Bialke>` and :ref:`(Fily) <Fily>`.
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By default, this fix is applied to all atoms in the group. You can override this
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behavior by specifying the atom types the fix should work on through the *types*
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keyword.
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----------
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**Restart, fix\_modify, output, run start/stop, minimize info:**
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No information about this fix is written to :doc:`binary restart files <restart>`.
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This fix is not imposed during minimization.
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Restrictions
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""""""""""""
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In quaternion mode, this fix makes use of per-atom quaternions to take into account the fact
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that the orientation can rotate and hence the direction of the active force can
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change. Therefore, the quaternion mode of this fix only works with atom\_styles that have a
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quaternion.
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Related commands
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""""""""""""""""
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:doc:`fix setforce <fix_setforce>`, :doc:`fix addforce <fix_addforce>`
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.. _Erdmann:
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**(Erdmann)** U. Erdmanna , W. Ebeling, L. Schimansky-Geier, and F. Schweitzer,
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Eur. Phys. J. B 15, 105-113, 2000.
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.. _Henkes:
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**(Henkes)** Henkes, S, Fily, Y., and Marchetti, M. C. Phys. Rev. E, 84, 040301(R), 2011.
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.. _Bialke:
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**(Bialke)** J. Bialké, T. Speck, and H Löwen, Phys. Rev. Lett. 108, 168301, 2012.
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.. _Fily:
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**(Fily)** Y. Fily and M.C. Marchetti, Phys. Rev. Lett. 108, 235702, 2012.
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**Default:** types
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -76,7 +76,7 @@ quaternion.
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Eur. Phys. J. B 15, 105-113, 2000.
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:link(Henkes)
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[(Henkes)] Henkes, S, Fily, Y., and Marchetti, M. C. Phys. Rev. E, 84, 040301(R), 2011
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[(Henkes)] Henkes, S, Fily, Y., and Marchetti, M. C. Phys. Rev. E, 84, 040301(R), 2011.
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:link(Bialke)
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[(Bialke)] J. Bialké, T. Speck, and H Löwen, Phys. Rev. Lett. 108, 168301, 2012.
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