From a3e500e8bf1ecee21c0d77679b28c4ad262bf80a Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 5 Nov 2009 20:39:25 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3313
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/USER-CD-EAM/README         | 27 +++++++++++++++++++++++++++
 src/USER-CD-EAM/pair_cdeam.cpp | 30 +++---------------------------
 2 files changed, 30 insertions(+), 27 deletions(-)
 create mode 100644 src/USER-CD-EAM/README

diff --git a/src/USER-CD-EAM/README b/src/USER-CD-EAM/README
new file mode 100644
index 0000000000..eb5f4459aa
--- /dev/null
+++ b/src/USER-CD-EAM/README
@@ -0,0 +1,27 @@
+The files in this directory are a user-contributed package for LAMMPS.
+
+The person who created these files is Alexander Stukowski (stukowski
+at mm.tu-darmstadt.de) Contact him directly if you have questions.
+
+This package implements the concentration-dependent EAM (CD-EAM)
+potential for multi-component systems.
+
+Specifically, the pair style implements an improved version of the
+original CD-EAM formalism.  The new version (a.k.a. one-site model;
+cdeamVersion==1) has been published in
+ 
+   A. Stukowski, B. Sadigh, P. Erhart and A. Caro
+   Efficient implementation of the concentration-dependent embedded
+   atom method for molecular-dynamics and Monte-Carlo simulations
+   Model. Simul. Mater. Sci. Eng., 2009, 075005
+
+This new formulation is more efficient for MD and Monte-Carlo
+simulations and is the default.
+ 
+The original formulation (a.k.a. two-site model; cdeamVersion==2) is
+also implemented and has been published in
+
+   A. Caro, D. A. Crowson and M. Caro
+   Classical Many-Body Potential for Concentrated Alloys and the
+   Inversion of Order in Iron-Chromium Alloys
+   Phys. Rev. Lett., APS, 2005, 95, 075702
diff --git a/src/USER-CD-EAM/pair_cdeam.cpp b/src/USER-CD-EAM/pair_cdeam.cpp
index b5c30b3c63..05028392af 100644
--- a/src/USER-CD-EAM/pair_cdeam.cpp
+++ b/src/USER-CD-EAM/pair_cdeam.cpp
@@ -12,34 +12,11 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing author: Alexander Stukowski (stukowski at mm.tu-darmstadt.de)
+   Contributing author: Alexander Stukowski
+                        Technical University of Darmstadt,
+                        Germany Department of Materials Science
 ------------------------------------------------------------------------- */
 
-/*
- Concentration-dependent EAM (CD-EAM) potential for multi-component
- systems.
-
- This potential class implements an improved version of the original
- CD-EAM formalism.  The new version (a.k.a. one-site model;
- cdeamVersion==1) has been published in
- 
-   A. Stukowski, B. Sadigh, P. Erhart and A. Caro
-   Efficient implementation of the concentration-dependent embedded
-   atom method for molecular-dynamics and Monte-Carlo simulations
-   Model. Simul. Mater. Sci. Eng., 2009, 075005
-
- This new formulation is more efficient for MD and Monte-Carlo
- simulations and is the default.
- 
- The original formulation (a.k.a. two-site model; cdeamVersion==2) is
- also implemented and has been published in
-
-   A. Caro, D. A. Crowson and M. Caro
-   Classical Many-Body Potential for Concentrated Alloys and the
-   Inversion of Order in Iron-Chromium Alloys
-   Phys. Rev. Lett., APS, 2005, 95, 075702
-*/
-
 #include "math.h"
 #include "stdio.h"
 #include "stdlib.h"
@@ -54,7 +31,6 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
-//using namespace std;
 
 // This is for debugging purposes. The ASSERT() macro is used in the code to check
 // if everything runs as expected. Change this to #if 0 if you don't need the checking.