--- trunk/src/primitives/DirectionalAtom.cpp	2009/11/25 20:02:06	1390
+++ branches/development/src/primitives/DirectionalAtom.cpp	2011/11/22 20:38:56	1665
@@ -36,7 +36,8 @@
  * [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).                        
+ * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
  
 #include "primitives/DirectionalAtom.hpp"
@@ -134,10 +135,14 @@ namespace OpenMD {
     ephi[1] = 0.0;
     ephi[2] = 1.0;
     
-    etheta[0] = -sphi;
-    etheta[1] =  cphi;
-    etheta[2] =  0.0;
+    //etheta[0] = -sphi;
+    //etheta[1] =  cphi;
+    //etheta[2] =  0.0;
     
+    etheta[0] = cphi;
+    etheta[1] = sphi;
+    etheta[2] = 0.0;
+    
     epsi[0] = stheta * cphi;
     epsi[1] = stheta * sphi;
     epsi[2] = ctheta;