git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12863 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/fix.html

@@ -255,7 +255,7 @@ in the fix section of <A HREF = "Section_commands.html#cmd_5">this page</A>.
 <LI><A HREF = "fix_tmd.html">tmd</A> - guide a group of atoms to a new configuration
 <LI><A HREF = "fix_ttm.html">ttm</A> - two-temperature model for electronic/atomic coupling
 <LI><A HREF = "fix_tune_kspace.html">tune/kspace</A> - auto-tune KSpace parameters
-<LI><A HREF = "vector.html">vector</A> - accumulate a global vector every N timesteps
+<LI><A HREF = "fix_vector.html">vector</A> - accumulate a global vector every N timesteps
 <LI><A HREF = "fix_viscosity.html">viscosity</A> - Muller-Plathe momentum exchange for      viscosity calculation
 <LI><A HREF = "fix_viscous.html">viscous</A> - viscous damping for granular simulations
 <LI><A HREF = "fix_wall.html">wall/colloid</A> - Lennard-Jones wall interacting with finite-size particles

doc/fix.txt

@@ -269,7 +269,7 @@ in the fix section of "this page"_Section_commands.html#cmd_5.
 "tmd"_fix_tmd.html - guide a group of atoms to a new configuration
 "ttm"_fix_ttm.html - two-temperature model for electronic/atomic coupling
 "tune/kspace"_fix_tune_kspace.html - auto-tune KSpace parameters
-"vector"_vector.html - accumulate a global vector every N timesteps
+"vector"_fix_vector.html - accumulate a global vector every N timesteps
 "viscosity"_fix_viscosity.html - Muller-Plathe momentum exchange for \
      viscosity calculation
 "viscous"_fix_viscous.html - viscous damping for granular simulations

doc/fix_vector.html

@@ -42,7 +42,7 @@ fix 1 all vector 5 c_myTemp v_integral
 </P>
 <P>Use one or more global values as inputs every few timesteps, and
 simply store them.  For a single specified value, the values are
-stored as a global vector of growing length For multiple specified
+stored as a global vector of growing length.  For multiple specified
 values, they are stored as rows in a global array, whose number of
 rows is growing.  The resulting vector or array can be used by other
 <A HREF = "Section_howto.html#howto_15">output commands</A>.
@@ -76,8 +76,15 @@ be used with this fix.  Variables of style <I>atom</I> cannot be used,
 since they produce per-atom values.
 </P>
 <P>The <I>Nevery</I> argument specifies on what timesteps the input values
-will be used in order to be stored.  Only timesteps that a multiple
-of <I>Nevery</I>, including timestep 0, will contribute values.
+will be used in order to be stored.  Only timesteps that are a
+multiple of <I>Nevery</I>, including timestep 0, will contribute values.
+</P>
+<P>Note that if you perform multiple runs, using the "pre no" option of
+the <A HREF = "run.html">run</A> command to avoid initialization on subsequent runs,
+then you need to use the <I>stop</I> keyword with the first <A HREF = "run.html">run</A>
+command with a timestep value that encompasses all the runs.  This is
+so that the vector or array stored by this fix can be allocated to a
+sufficient size.
 </P>
 <HR>
 
@@ -144,9 +151,14 @@ stored, then the compute or fix determines whether the value is
 intensive or extensive; see the doc page for that compute or fix for
 further info.  Values produced by a variable are treated as intensive.
 </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>This fix can allocate storage for stored values accumulated over
+multiple runs, using the <I>start</I> and <I>stop</I> keywords of the
+<A HREF = "run.html">run</A> command.  See the <A HREF = "run.html">run</A> command for details of
+how to do this.  If using the <A HREF = "run.html">run pre no</A> command option,
+this is required to allow the fix to allocate sufficient storage for
+stored values.
+</P>
+<P>This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
 </P>
 <P><B>Restrictions:</B> none
 </P>

doc/fix_vector.txt

@@ -33,7 +33,7 @@ fix 1 all vector 5 c_myTemp v_integral :pre
 
 Use one or more global values as inputs every few timesteps, and
 simply store them.  For a single specified value, the values are
-stored as a global vector of growing length For multiple specified
+stored as a global vector of growing length.  For multiple specified
 values, they are stored as rows in a global array, whose number of
 rows is growing.  The resulting vector or array can be used by other
 "output commands"_Section_howto.html#howto_15.
@@ -67,8 +67,15 @@ be used with this fix.  Variables of style {atom} cannot be used,
 since they produce per-atom values.
 
 The {Nevery} argument specifies on what timesteps the input values
-will be used in order to be stored.  Only timesteps that a multiple
-of {Nevery}, including timestep 0, will contribute values.
+will be used in order to be stored.  Only timesteps that are a
+multiple of {Nevery}, including timestep 0, will contribute values.
+
+Note that if you perform multiple runs, using the "pre no" option of
+the "run"_run.html command to avoid initialization on subsequent runs,
+then you need to use the {stop} keyword with the first "run"_run.html
+command with a timestep value that encompasses all the runs.  This is
+so that the vector or array stored by this fix can be allocated to a
+sufficient size.
 
 :line
 
@@ -135,9 +142,14 @@ stored, then the compute or fix determines whether the value is
 intensive or extensive; see the doc page for that compute or fix for
 further info.  Values produced by a variable are treated as intensive.
 
-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.
+This fix can allocate storage for stored values accumulated over
+multiple runs, using the {start} and {stop} keywords of the
+"run"_run.html command.  See the "run"_run.html command for details of
+how to do this.  If using the "run pre no"_run.html command option,
+this is required to allow the fix to allocate sufficient storage for
+stored values.
+
+This fix is not invoked during "energy minimization"_minimize.html.
 
 [Restrictions:] none