fix doc for fix propel/self to sphinx system

This commit is contained in:
Pierre de Buyl
2020-01-10 13:42:43 +01:00
parent fe4f7899d2
commit 13ee0c1739
3 changed files with 111 additions and 2 deletions

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@ -155,6 +155,7 @@ OPT.
* :doc:`precession/spin <fix_precession_spin>`
* :doc:`press/berendsen <fix_press_berendsen>`
* :doc:`print <fix_print>`
* :doc:`propel/self <fix_propel_self>`
* :doc:`property/atom (k) <fix_property_atom>`
* :doc:`python/invoke <fix_python_invoke>`
* :doc:`python/move <fix_python_move>`
@ -237,4 +238,3 @@ OPT.
* :doc:`wall/region/ees <fix_wall_ees>`
* :doc:`wall/srd <fix_wall_srd>`
*
*

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

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@ -76,7 +76,7 @@ quaternion.
Eur. Phys. J. B 15, 105-113, 2000.
:link(Henkes)
[(Henkes)] Henkes, S, Fily, Y., and Marchetti, M. C. Phys. Rev. E, 84, 040301(R), 2011
[(Henkes)] Henkes, S, Fily, Y., and Marchetti, M. C. Phys. Rev. E, 84, 040301(R), 2011.
:link(Bialke)
[(Bialke)] J. Bialké, T. Speck, and H Löwen, Phys. Rev. Lett. 108, 168301, 2012.