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Commit 89ea1e4a authored by sjplimp's avatar sjplimp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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...@@ -95,13 +95,10 @@ arguments are specified. ...@@ -95,13 +95,10 @@ arguments are specified.
</P> </P>
<P>The g(r) value for a bin is calculated from the histogram count by <P>The g(r) value for a bin is calculated from the histogram count by
scaling it by the idealized number of how many counts there would be scaling it by the idealized number of how many counts there would be
if atoms of type <I>jtypeN</I> were uniformly distributed. Thus it involves if atoms of type <I>jtypeN</I> were uniformly distributed. Thus it
the count of <I>itypeN</I> atoms, the count of <I>jtypeN</I> atoms, the volume involves the count of <I>itypeN</I> atoms, the count of <I>jtypeN</I> atoms, the
of the entire simulation box, and the volume of the bin's thin shell volume of the entire simulation box, and the volume of the bin's thin
in 3d (or the area of the bin's thin ring in 2d). The normalization shell in 3d (or the area of the bin's thin ring in 2d).
is corrected for finite size effects so that the large <I>r</I> limit for
a homogeneous liquid system of a single atom type becomes exactly 1.0
(without the correction it would be (natoms-1)/natoms).
</P> </P>
<P>A coordination number coord(r) is also calculated, which is the number <P>A coordination number coord(r) is also calculated, which is the number
of atoms of type <I>jtypeN</I> within the current bin or closer, averaged of atoms of type <I>jtypeN</I> within the current bin or closer, averaged
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