From d82f4c3460987b80d92dcfc4e40b20fcc9fbd615 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Mon, 3 Jan 2011 23:05:56 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5452
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/minimize.html | 11 ++++-------
 doc/minimize.txt  | 11 ++++-------
 2 files changed, 8 insertions(+), 14 deletions(-)

diff --git a/doc/minimize.html b/doc/minimize.html
index 0921d1bf86..1587e70dd5 100644
--- a/doc/minimize.html
+++ b/doc/minimize.html
@@ -66,12 +66,6 @@ damped dynamics using an Euler integration step.  Thus they require a
 <A HREF = "timestep.html">timestep</A> be defined, typically the same value used for
 <A HREF = "run.html">running dynamics</A> with the system.
 </P>
-<P>IMPORTANT NOTE: <I>Etol</I> should be set to 0.0 when using the <I>quickmin</I>
-or <I>fire</I> <A HREF = "min_style.html">minimization styles</A>.  This is because they
-periodically reset velocities to 0.0 and take a zero-length step which
-will appear as a 0.0 energy change, stopping the minimizer if <I>etol</I>
-is finite.
-</P>
 <P>The objective function being minimized is the total potential energy
 of the system as a function of the N atom coordinates:
 </P>
@@ -104,7 +98,10 @@ of the atoms.
 unitless; it is met when the energy change between successive
 iterations divided by the energy magnitude is less than or equal to
 the tolerance.  For example, a setting of 1.0e-4 for <I>etol</I> means an
-energy tolerance of one part in 10^4.
+energy tolerance of one part in 10^4.  For the damped dynamics
+minimizers this check is not performed for a few steps after
+velocities are reset to 0, otherwise the minimizer would prematurely
+converge.
 </P>
 <P>For the second criterion, the specified force tolerance <I>ftol</I> is in
 force units, since it is the length of the global force vector for all
diff --git a/doc/minimize.txt b/doc/minimize.txt
index 9b203f1820..7524377290 100644
--- a/doc/minimize.txt
+++ b/doc/minimize.txt
@@ -63,12 +63,6 @@ damped dynamics using an Euler integration step.  Thus they require a
 "timestep"_timestep.html be defined, typically the same value used for
 "running dynamics"_run.html with the system.
 
-IMPORTANT NOTE: {Etol} should be set to 0.0 when using the {quickmin}
-or {fire} "minimization styles"_min_style.html.  This is because they
-periodically reset velocities to 0.0 and take a zero-length step which
-will appear as a 0.0 energy change, stopping the minimizer if {etol}
-is finite.
-
 The objective function being minimized is the total potential energy
 of the system as a function of the N atom coordinates:
 
@@ -101,7 +95,10 @@ For the first criterion, the specified energy tolerance {etol} is
 unitless; it is met when the energy change between successive
 iterations divided by the energy magnitude is less than or equal to
 the tolerance.  For example, a setting of 1.0e-4 for {etol} means an
-energy tolerance of one part in 10^4.
+energy tolerance of one part in 10^4.  For the damped dynamics
+minimizers this check is not performed for a few steps after
+velocities are reset to 0, otherwise the minimizer would prematurely
+converge.
 
 For the second criterion, the specified force tolerance {ftol} is in
 force units, since it is the length of the global force vector for all