--- trunk/src/math/Triangle.hpp	2009/11/25 20:02:06	1390
+++ trunk/src/math/Triangle.hpp	2013/06/16 15:15:42	1879
@@ -1,4 +1,4 @@
-/* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved.
+/* Copyright (c) 2008, 2010 The University of Notre Dame. All Rights Reserved.
  *
  * The University of Notre Dame grants you ("Licensee") a
  * non-exclusive, royalty free, license to use, modify and
@@ -34,17 +34,17 @@
  *                                                                      
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
- * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
+ * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
  *
- *
  *  Triangle.hpp
  *
  *  Purpose: Provide basic triangle class for OpenMD. Hates Particle class.
  *
  *  Created by Charles F. Vardeman II on 29 July 2008.
  *  @author  Charles F. Vardeman II
- *  @version $Id: Triangle.hpp,v 1.6 2009-11-25 20:02:01 gezelter Exp $
+ *  @version $Id$
  *
  */
 
@@ -79,6 +79,10 @@ namespace OpenMD {
       normal_ = normal;
       HaveNormal_ = true;
     }
+    void setUnitNormal(Vector3d normal) {
+      unitnormal_ = normal;
+      HaveUnitNormal_ = true;
+    }
 
     void addVertices(Vector3d P1, Vector3d P2, Vector3d P3);
 
@@ -100,6 +104,13 @@ namespace OpenMD {
 	return computeNormal();
       }
     }
+   Vector3d getUnitNormal() {
+      if (HaveUnitNormal_) {
+	return unitnormal_;
+      } else {
+	return computeUnitNormal();
+      }
+    }
     
     RealType getArea() { 
       if(HaveArea_){
@@ -112,6 +123,7 @@ namespace OpenMD {
     RealType computeArea();
     Vector3d computeNormal();
     Vector3d computeCentroid();
+    Vector3d computeUnitNormal();
 
     void setCentroid(Vector3d centroid) { 
       centroid_ = centroid;
@@ -177,7 +189,6 @@ namespace OpenMD {
       RealType t2 = -a1 + b1 + c1;
       RealType t3 =  a1 - b1 + c1;
       RealType t4 =  a1 + b1 - c1;
-      RealType junk = t1*t2*t3*t4;
       return a1 * b1 * c1 / sqrt(t1 * t2 * t3 * t4);
     }
       
@@ -190,9 +201,10 @@ namespace OpenMD {
     /* Local Indentity of vertex atoms in pos array*/
     std::vector <StuntDouble*> vertexSD_;
     Vector3d normal_;
+    Vector3d unitnormal_;
     Vector3d centroid_;
     Vector3d vertices_[3];
-    RealType area_;
+    RealType area_;    
     RealType mass_;
     Vector3d facetVelocity_;
     //Length of triangle sides
@@ -200,6 +212,7 @@ namespace OpenMD {
     RealType alpha_,beta_,gamma_;
     bool HaveArea_;
     bool HaveNormal_;
+    bool HaveUnitNormal_;
     bool HaveCentroid_;
     
   }; // End class Triangle