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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-12-01 00:19:11 +00:00
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doc/compute_pair_local.html
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@ -21,18 +21,22 @@
<LI>zero or more keywords may be appended
<LI>keyword = <I>dist</I> or <I>eng</I> or <I>force</I>
<LI>keyword = <I>dist</I> or <I>eng</I> or <I>force</I> or <I>fx</I> or <I>fy</I> or <I>fz</I> or <I>fN</I>
<PRE> <I>dist</I> = tabulate pairwise distances
<I>eng</I> = tablutate pairwise energies
<I>force</I> = tablutate pairwise forces
<PRE> <I>dist</I> = pairwise distance
<I>eng</I> = pairwise energy
<I>force</I> = pairwise force
<I>fx</I>,<I>fy</I>,<I>fz</I> = components of pairwise force
<I>pN</I> = pair style specific quantities for allowed N values
</PRE>
</UL>
<P><B>Examples:</B>
</P>
<PRE>compute 1 all pair/local eng
compute 1 all pair/local dist eng force
compute 1 all pair/local dist eng force
compute 1 all pair/local dist eng fx fy fz
compute 1 all pair/local dist fx fy fz p1 p2 p3
</PRE>
<P><B>Description:</B>
</P>
@ -48,9 +52,27 @@ force cutoff distance for that interaction, as defined by the
<A HREF = "pair_style.html">pair_style</A> and <A HREF = "pair_coeff.html">pair_coeff</A>
commands.
</P>
<P>The output <I>dist</I> is the distance bewteen the pair of atoms.
</P>
<P>The output <I>eng</I> is the interaction energy for the pair of atoms.
</P>
<P>The output <I>force</I> is the force acting between the pair of atoms,
which is positive for a repulsive force and negative for an attractive
force. The outputs <I>fx</I>, <I>fy</I>, and <I>fz</I> are the xyz components of
<I>force</I> on atom I.
</P>
<P>A pair style may define additional pairwise quantities which can be
accessed as <I>p1</I> to <I>pN</I>, where N is defined by the pair style. Most
pair styles do not define any additional quantities, so N = 0. An
example of ones that do are the <A HREF = "pair_gran.html">granular pair styles</A>
which calculate the tangential force between two particles and return
its components and magnitude acting on atom I for N = 1,2,3,4. See
individual pair styles for detils.
</P>
<P>The output <I>dist</I> will be in distance <A HREF = "units.html">units</A>. The output
<I>eng</I> will be in energy <A HREF = "units.html">units</A>. The output <I>force</I> will
be in force <A HREF = "units.html">units</A>.
<I>eng</I> will be in energy <A HREF = "units.html">units</A>. The outputs <I>force</I>,
<I>fx</I>, <I>fy</I>, and <I>fz</I> will be in force <A HREF = "units.html">units</A>. The output
<I>pN</I> will be in whatever units the pair style defines.
</P>
<P>Note that as atoms migrate from processor to processor, there will be
no consistent ordering of the entries within the local vector or array