From 90934f2b3932a73516bc3371c4fc345a7dacd40d Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 14 Feb 2013 16:24:40 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9484
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/compute_stress_atom.html | 11 ++++++++---
 doc/compute_stress_atom.txt  | 10 +++++++---
 2 files changed, 15 insertions(+), 6 deletions(-)

diff --git a/doc/compute_stress_atom.html b/doc/compute_stress_atom.html
index 71e7444d75..cd469dcc7a 100644
--- a/doc/compute_stress_atom.html
+++ b/doc/compute_stress_atom.html
@@ -76,9 +76,10 @@ pairwise interactions between 1-4 atoms.  The virial contribution of
 these terms is included in the pair virial, not the dihedral virial.
 </P>
 <P>The KSpace contribution is calculated using the method in
-<A HREF = "#Heyes">(Heyes)</A> for the Ewald method and a related method for PPPM,
-as specified by the <A HREF = "kspace_style.html">kspace_style pppm</A> command.
-For PPPM, the calcluation requires 6 extra FFTs each timestep that
+<A HREF = "#Heyes">(Heyes)</A> for the Ewald method and by the methodology described
+in <A HREF = "#Sirk">(Sirk)</A> for PPPM.  The choice of KSpace solver is specified
+by the <A HREF = "kspace_style.html">kspace_style pppm</A> command.  Note that for
+PPPM, the calcluation requires 6 extra FFTs each timestep that
 per-atom stress is calculated.  Thus it can significantly increase the
 cost of the PPPM calculation if it is needed on a large fraction of
 the simulation timesteps.
@@ -127,4 +128,8 @@ options.
 
 <P><B>(Heyes)</B> Heyes, Phys Rev B 49, 755 (1994),
 </P>
+<A NAME = "Sirk"></A>
+
+<P><B>(Sirk)</B> Sirk, Brown, Moore, J Chem Phys, 138, 064505 (2013).
+</P>
 </HTML>
diff --git a/doc/compute_stress_atom.txt b/doc/compute_stress_atom.txt
index 8e1d40d0a1..eb90f18fd8 100644
--- a/doc/compute_stress_atom.txt
+++ b/doc/compute_stress_atom.txt
@@ -73,9 +73,10 @@ pairwise interactions between 1-4 atoms.  The virial contribution of
 these terms is included in the pair virial, not the dihedral virial.
 
 The KSpace contribution is calculated using the method in
-"(Heyes)"_#Heyes for the Ewald method and a related method for PPPM,
-as specified by the "kspace_style pppm"_kspace_style.html command.
-For PPPM, the calcluation requires 6 extra FFTs each timestep that
+"(Heyes)"_#Heyes for the Ewald method and by the methodology described
+in "(Sirk)"_#Sirk for PPPM.  The choice of KSpace solver is specified
+by the "kspace_style pppm"_kspace_style.html command.  Note that for
+PPPM, the calcluation requires 6 extra FFTs each timestep that
 per-atom stress is calculated.  Thus it can significantly increase the
 cost of the PPPM calculation if it is needed on a large fraction of
 the simulation timesteps.
@@ -122,3 +123,6 @@ The per-atom array values will be in pressure*volume
 
 :link(Heyes)
 [(Heyes)] Heyes, Phys Rev B 49, 755 (1994),
+
+:link(Sirk)
+[(Sirk)] Sirk, Brown, Moore, J Chem Phys, 138, 064505 (2013).