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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2900 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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@ -314,6 +314,19 @@ is a number from 1 to N, identifying which molecule the atom belongs
to. It can be 0 if it is an unbonded atom or if you don't care to
keep track of molecule assignments.
</P>
<P>The diameter specifies the size of a finite size particle, analagous
to the <A HREF = "shape.html">shape</A> command which sets the size on a per-type
basis. A diameter can be set to 0.0, which means that atom is a point
particle and not a finite-size particles. Some pair styles and fixes
and computes that operate on finite-size particles allow for a mixture
of finite-size and point particles. See the doc pages of individual
commands for details.
</P>
<P>The density is used in conjunction with the diameter to set the mass
of a particle as mass = density * volume. If the diameter and volume
are 0.0 meaning a point particle, then the mass is not 0.0 but is set
as mass = density.
</P>
<P>The values <I>quatw</I>, <I>quati</I>, <I>quatj</I>, and <I>quatk</I> set the orientation
of the atom as a quaternion (4-vector). Note that the
<A HREF = "shape.html">shape</A> command or "Shapes" section of the data file