Update documentation of fix propel/self

1. Remove reference to velocity alignment model.
2. Use reference to velocity-dependent friction for mode velocity
3. Add references to Fily & Marchetti and Bialké, Speck & Löwen for the
quaternion mode.
This commit is contained in:
Pierre de Buyl
2019-12-17 11:54:30 +01:00
parent 95784f7066
commit 7b977856b9
2 changed files with 26 additions and 17 deletions

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@ -6,7 +6,7 @@
:line
fix propel/self command :pre
fix propel/self command :h3
[Syntax:]
@ -36,13 +36,16 @@ fix active all propel/self quaternion 1.0 types 1 2 4 :pre
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 an overdamped form of the model used by
"(Szabo)"_#Szabo and "(Henkes)"_#Henkes.
For mode = quaternion the force is along the axis obtained by rotating the
z-axis along the atom's quaternion. In other words, the force is along the
z-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.
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 "(Erdmann)"_#Erdmann.
For mode = quaternion the force is along the axis obtained by rotating the z-axis along the
atom's quaternion. In other words, the force is along the z-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 "(Henkes)"_#Henkes, "(Bialke)"_#Bialke and "(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}
@ -59,22 +62,27 @@ This fix is not imposed during minimization.
[Restrictions:]
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, this fix only works with atom_styles
that have a quaternion.
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:]
"fix setforce"_fix_setforce.html, "fix addforce"_fix_addforce.html
:link(Szabo)
[(Szabo)] Szabo, B, Szollosi, G. J., Gonci, B., Juranyi, Zs., Selmeczi, D. and Viscek, T.,
Phys. Rev. E, 74, 061908, 2006
:link(Erdmann)
[(Erdmann)] U. Erdmanna , W. Ebeling, L. Schimansky-Geier, and F. Schweitzer,
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.
:link(Fily)
[(Fily)] Y. Fily and M.C. Marchetti, Phys. Rev. Lett. 108, 235702, 2012.
[Default:] types

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@ -296,6 +296,7 @@ accelerated styles exist.
"precession/spin"_fix_precession_spin.html -
"press/berendsen"_fix_press_berendsen.html - pressure control by Berendsen barostat
"print"_fix_print.html - print text and variables during a simulation
"propel/self"_fix_propel_self.html - add self-propelling force
"property/atom"_fix_property_atom.html - add customized per-atom values
"python/invoke"_fix_python_invoke.html - call a Python function during a simulation
"python/move"_fix_python_move.html - call a Python function during a simulation run