add gravity keyword info to fix rigid doc page

This commit is contained in:
Steve Plimpton
2023-07-06 09:08:15 -07:00
parent 146245e6ae
commit 02845483d2

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@ -610,10 +610,12 @@ such attributes: the total mass of the rigid body, its center-of-mass
position, its 6 moments of inertia, its center-of-mass velocity, and
the 3 image flags of the center-of-mass position. For rigid bodies
consisting of point particles or non-overlapping finite-size
particles, LAMMPS can compute these values accurately. However, for
rigid bodies consisting of finite-size particles which overlap each
other, LAMMPS will ignore the overlaps when computing these 4
attributes. The amount of error this induces depends on the amount of
particles, LAMMPS can compute these values accurately.
However, for rigid bodies consisting of finite-size particles which
overlap each other, LAMMPS will ignore the overlaps when computing
these 4 attributes, which means the dynamics of the bodies will be
incorrect. The amount of error this induces depends on the amount of
overlap. To avoid this issue, the values can be pre-computed
(e.g. using Monte Carlo integration).
@ -677,6 +679,28 @@ cross periodic boundaries during the simulation.
auxiliary file will contain one line for every rigid body, even if the
original file only listed a subset of the rigid bodies.
If the system has rigid bodies with finite-size overlapping particles
and the model uses the :doc:`fix gravity <fix_gravity>` command to
apply a gravitational force to the rigid bodies, then the *gravity*
keyword should be used in the following manner.
First, the group specified for the :doc:`fix gravity <fix_gravity>`
command should not include any atoms in rigid bodies which have
overlapping particles. It can be empty (see the :doc:`group empty
<group>` command) or only contain single particles not in rigid
bodies, e.g. background particles.
Second, the *infile* keyword should be used to specify the total mass
and other properties of the rigid bodies with overlaps, so that their
dyamics will be modeled correctly, as explained above.
Third, the *gravity* keyword should be used the with the ID of the
:doc:`fix gravity <fix_gravity>` command as its argument. The rigid
fixes will access gravity fix to extract the current direction of the
gravity vector at each timestep (which can be static or dynamic). A
gravity force will then be applied to each rigid body at its
center-of-mass position using its total mass.
----------
If you use a :doc:`temperature compute <compute>` with a group that