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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5925 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-04-11 19:49:41 +00:00
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doc/compute_rdf.html
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@ -72,19 +72,8 @@ a specific histogram if the following criteria are met:
<UL><LI>atoms I,J are both in the specified compute group
<LI>the distance between atoms I,J is less than the maximum force cutoff
<LI>the type of the I atom matches itypeN (one or a range of types)
<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
<LI>the type of the J atom matches jtypeN (one or a range of types)
</UL>
<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>
arguments are specified.