From 5ebee66a2421682f273c536b3412ec5072c5bfa3 Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 8 Feb 2011 23:18:27 +0000
Subject: [PATCH] Added comment on units

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5615 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
 doc/fix_qeq_reax.html | 7 ++++---
 doc/fix_qeq_reax.txt  | 7 ++++---
 2 files changed, 8 insertions(+), 6 deletions(-)

diff --git a/doc/fix_qeq_reax.html b/doc/fix_qeq_reax.html
index 7a30dff7d4..590a22b1ba 100644
--- a/doc/fix_qeq_reax.html
+++ b/doc/fix_qeq_reax.html
@@ -48,11 +48,12 @@ should be formatted as follows:
 <PRE>itype chi eta gamma 
 </PRE>
 <P>where <I>itype</I> is the atom type from 1 to Ntypes, <I>chi</I> denotes the
-electronegativity in energy units, <I>eta</I> denotes the self-Coulomb
-potential in energy units, and <I>gamma</I> denotes the valence orbital
+electronegativity in eV, <I>eta</I> denotes the self-Coulomb
+potential in eV, and <I>gamma</I> denotes the valence orbital
 exponent.  Note that these 3 quantities are also in the ReaxFF
 potential file, except that eta is defined here as twice the eta value
-in the ReaxFF file.
+in the ReaxFF file. Note that unlike the rest of LAMMPS, the units
+of this fix are hard-coded to be A, eV, and electronic charge. 
 </P>
 <P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
 </P>
diff --git a/doc/fix_qeq_reax.txt b/doc/fix_qeq_reax.txt
index bcea014288..fd18e5a553 100644
--- a/doc/fix_qeq_reax.txt
+++ b/doc/fix_qeq_reax.txt
@@ -45,11 +45,12 @@ should be formatted as follows:
 itype chi eta gamma :pre
 
 where {itype} is the atom type from 1 to Ntypes, {chi} denotes the
-electronegativity in energy units, {eta} denotes the self-Coulomb
-potential in energy units, and {gamma} denotes the valence orbital
+electronegativity in eV, {eta} denotes the self-Coulomb
+potential in eV, and {gamma} denotes the valence orbital
 exponent.  Note that these 3 quantities are also in the ReaxFF
 potential file, except that eta is defined here as twice the eta value
-in the ReaxFF file.
+in the ReaxFF file. Note that unlike the rest of LAMMPS, the units
+of this fix are hard-coded to be A, eV, and electronic charge. 
 
 [Restart, fix_modify, output, run start/stop, minimize info:]