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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3614 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-22 01:14:57 +00:00
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doc/compute_rdf.html
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@ -75,15 +75,15 @@ a specific histogram if the following criteria are met:
<LI>the type of the J atom matches jtypeN (one or a range of types)
<LI>the I,J interaction is included in the neighbor list
</UL>
<P>The last point is relevant for molecular systems with bonds, because
if two atoms I,J are involved in 1-2, 1-3, 1-4 interactions within the
molecular topology, their pairwise interaction may be turned off, and
thus they will not appear in the neighbor list, and will not
contribute to g(r). More specifically, this is true of I,J pairs with
a weighting factor of 0.0; pairs with a non-zero weighting factor are
included. The weighting factors for 1-2, 1-3, and 1-4 pairwise
interactions are set by the <A HREF = "special_bonds.html">special_bonds</A>
command.
<P>IMPORTANT NOTE: The last point is relevant for molecular systems with
bonds, because if two atoms I,J are involved in 1-2, 1-3, 1-4
interactions within the molecular topology, their pairwise interaction
may be turned off, and thus they will not appear in the neighbor list,
and will not contribute to g(r). More specifically, this is true of
I,J pairs with a weighting factor of 0.0; pairs with a non-zero
weighting factor are included. The weighting factors for 1-2, 1-3,
and 1-4 pairwise interactions are set by the
<A HREF = "special_bonds.html">special_bonds</A> command.
</P>
<P>It is OK if a particular pairwise distance is included in more than
one individual histogram, due to the way the <I>itypeN</I> and <I>jtypeN</I>