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:
@ -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
|
||||
|
||||
@ -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
|
||||
|
||||
Reference in New Issue
Block a user