From a4d91774eedefd520b74bbb3e41508997e2de1e7 Mon Sep 17 00:00:00 2001
From: pscrozi <pscrozi@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 27 Mar 2013 22:37:51 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9718
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/fix_gcmc.html |  9 ++++++++-
 doc/fix_gcmc.txt  | 11 +++++++++--
 2 files changed, 17 insertions(+), 3 deletions(-)

diff --git a/doc/fix_gcmc.html b/doc/fix_gcmc.html
index 17b2fc520d..f8620d36d5 100644
--- a/doc/fix_gcmc.html
+++ b/doc/fix_gcmc.html
@@ -37,12 +37,14 @@
 
 <LI>zero or more keyword/value pairs may be appended to args 
 
-<LI>keyword = <I>molecule</I> or <I>region</I> 
+<LI>keyword = <I>molecule</I>, <I>region</I>, <I>maxangle</I>, <I>pressure</I>, or <I>fugacity_coeff</I> 
 
 <PRE>  <I>molecule</I> value = <I>no</I> or <I>yes</I>
   <I>region</I> value = region-ID
     region-ID = ID of region to use as an exchange/move volume 
   <I>maxangle</I> value = maximum molecular rotation angle (degrees) 
+  <I>pressure</I> value = pressue of the gas reservoir (pressure units)
+  <I>fugacity_coeff</I> value = fugacity coefficient of the gas reservoir (unitless) 
 </PRE>
 
 </UL>
@@ -150,6 +152,11 @@ atoms/molecules are assigned to two groups: the default group "all"
 and the group specified in the fix gcmc command (which can also be 
 "all"). 
 </P>
+<P>The gas reservoir pressure can be specified using the <I>pressure</I> 
+keyword, in which case the user-specified chemical potential is 
+ignored. For non-ideal gas reservoirs, the user may also specify the 
+fugacity coefficient using the <I>fugacity_coeff</I> keyword.
+</P>
 <P>Use of this fix typically will cause the number of atoms to fluctuate,
 therefore, you will want to use the
 <A HREF = "compute_modify.html">compute_modify</A> command to insure that the
diff --git a/doc/fix_gcmc.txt b/doc/fix_gcmc.txt
index 573264f561..e0e7fdcae1 100644
--- a/doc/fix_gcmc.txt
+++ b/doc/fix_gcmc.txt
@@ -23,11 +23,13 @@ T = temperature of the ideal gas reservoir (temperature units) :l
 mu = chemical potential of the ideal gas reservoir (energy units) :l
 displace = maximum Monte Carlo displacement distance (length units) :l
 zero or more keyword/value pairs may be appended to args :l
-keyword = {molecule} or {region} :l
+keyword = {molecule}, {region}, {maxangle}, {pressure}, or {fugacity_coeff} :l
   {molecule} value = {no} or {yes}
   {region} value = region-ID
     region-ID = ID of region to use as an exchange/move volume 
-  {maxangle} value = maximum molecular rotation angle (degrees) :pre
+  {maxangle} value = maximum molecular rotation angle (degrees) 
+  {pressure} value = pressue of the gas reservoir (pressure units)
+  {fugacity_coeff} value = fugacity coefficient of the gas reservoir (unitless) :pre
 :ule
 
 [Examples:]
@@ -134,6 +136,11 @@ atoms/molecules are assigned to two groups: the default group "all"
 and the group specified in the fix gcmc command (which can also be 
 "all"). 
 
+The gas reservoir pressure can be specified using the {pressure} 
+keyword, in which case the user-specified chemical potential is 
+ignored. For non-ideal gas reservoirs, the user may also specify the 
+fugacity coefficient using the {fugacity_coeff} keyword.
+
 Use of this fix typically will cause the number of atoms to fluctuate,
 therefore, you will want to use the
 "compute_modify"_compute_modify.html command to insure that the