git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7149 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-20 15:01:56 +00:00
parent 89a39c7425
commit b0f09063e0
16 changed files with 539 additions and 205 deletions

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@ -78,12 +78,13 @@ portions of a large biomolecule such as a protein.
<P>Example of small rigid bodies are patchy nanoparticles, such as those
modeled in <A HREF = "#Zhang">this paper</A> by Sharon Glotzer's group, clumps of
granular particles, lipid molecules consiting of one or more point
dipoles connected to other spheroids or ellipsoids, and coarse-grain
models of nano or colloidal particles consisting of a small number of
constituent particles. Note that the <A HREF = "fix_shake.html">fix shake</A>
command can also be used to rigidify small molecules of 2, 3, or 4
atoms, e.g. water molecules. That fix treats the constituent atoms as
point masses.
dipoles connected to other spheroids or ellipsoids, irregular
particles built from line segments (2d) or triangles (3d), and
coarse-grain models of nano or colloidal particles consisting of a
small number of constituent particles. Note that the <A HREF = "fix_shake.html">fix
shake</A> command can also be used to rigidify small
molecules of 2, 3, or 4 atoms, e.g. water molecules. That fix treats
the constituent atoms as point masses.
</P>
<P>These fixes also update the positions and velocities of the atoms in
each rigid body via time integration. The <I>rigid</I> and <I>rigid/nve</I>
@ -118,14 +119,14 @@ setforce</A> command), and integrating them as usual
<HR>
<P>The constituent particles within a rigid body can be point particles
(the default in LAMMPS) or finite-size particles, such as spheres and
ellipsoids. See the <A HREF = "atom_style.html">atom_style sphere and ellipsoid</A>
commands for more details on these kinds of particles. Finite-size
particles contribute differently to the moment of inertia of a rigid
body than do point particles. Finite-size particles can also
experience torque (e.g. due to <A HREF = "pair_gran.html">frictional granular
interactions</A>) and have an orientation. These
contributions are accounted for by these fixes.
(the default in LAMMPS) or finite-size particles, such as spheres or
ellipsoids or line segments or triangles. See the <A HREF = "atom_style.html">atom_style sphere
and ellipsoid and line and tri</A> commands for more
details on these kinds of particles. Finite-size particles contribute
differently to the moment of inertia of a rigid body than do point
particles. Finite-size particles can also experience torque (e.g. due
to <A HREF = "pair_gran.html">frictional granular interactions</A>) and have an
orientation. These contributions are accounted for by these fixes.
</P>
<P>Forces between particles within a body do not contribute to the
external force or torque on the body. Thus for computational