git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1276 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/fix_nve_limit.html

@@ -54,11 +54,22 @@ very large for overlapped configurations.
 </P>
 <P>No information about this fix is written to <A HREF = "restart.html">binary restart
 files</A>.  None of the <A HREF = "fix_modify.html">fix_modify</A> options
-are relevant to this fix.  No global scalar or vector or per-atom
-quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
-commands</A>.  No parameter of this fix can be
-used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
-This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
+are relevant to this fix.
+</P>
+<P>This fix computes a scalar quantity which is the count of how many
+updates of atom's velocity/position were limited by the maximum
+distance criterion.  This should be roughly the number of atoms so
+affected, except that updates occur at both the beginning and end of a
+timestep in a velocity Verlet timestepping algorithm.  This is a
+cummulative quantity for the current run, but is re-initialized to
+zero each time a run is performed.  This value can be accessed by
+various <A HREF = "Section_howto.html#4_15">output commands</A>.  The scalar value
+calculated by this fix is "extensive", meaning it scales with the
+number of atoms in the simulation.
+</P>
+<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
+the <A HREF = "run.html">run</A> command.  This fix is not invoked during <A HREF = "minimize.html">energy
+minimization</A>.
 </P>
 <P><B>Restrictions:</B> none
 </P>

doc/fix_nve_limit.txt

@@ -51,11 +51,22 @@ very large for overlapped configurations.
 
 No information about this fix is written to "binary restart
 files"_restart.html.  None of the "fix_modify"_fix_modify.html options
-are relevant to this fix.  No global scalar or vector or per-atom
-quantities are stored by this fix for access by various "output
-commands"_Section_howto.html#4_15.  No parameter of this fix can be
-used with the {start/stop} keywords of the "run"_run.html command.
-This fix is not invoked during "energy minimization"_minimize.html.
+are relevant to this fix.
+
+This fix computes a scalar quantity which is the count of how many
+updates of atom's velocity/position were limited by the maximum
+distance criterion.  This should be roughly the number of atoms so
+affected, except that updates occur at both the beginning and end of a
+timestep in a velocity Verlet timestepping algorithm.  This is a
+cummulative quantity for the current run, but is re-initialized to
+zero each time a run is performed.  This value can be accessed by
+various "output commands"_Section_howto.html#4_15.  The scalar value
+calculated by this fix is "extensive", meaning it scales with the
+number of atoms in the simulation.
+
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.  This fix is not invoked during "energy
+minimization"_minimize.html.
 
 [Restrictions:] none