--- trunk/src/primitives/GhostBend.cpp	2010/07/06 21:23:46	1459
+++ trunk/src/primitives/GhostBend.cpp	2013/12/05 18:19:26	1953
@@ -35,19 +35,22 @@
  *                                                                      
  * [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).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
  
+#include "config.h"
+#include <cmath>
 #include "primitives/GhostBend.hpp"
 #include "primitives/DirectionalAtom.hpp"
 namespace OpenMD {
 
   /**@todo still a lot left to improve*/
-  void GhostBend::calcForce(RealType& angle) {
-    DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atom2_);
+  void GhostBend::calcForce(RealType& angle, bool doParticlePot) {
+    DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atoms_[1]);
     
-    Vector3d pos1 = atom1_->getPos();
+    Vector3d pos1 = atoms_[0]->getPos();
     Vector3d pos2 = ghostAtom->getPos();
 
     Vector3d r21 = pos1 - pos2;   
@@ -90,14 +93,15 @@ namespace OpenMD {
 
     // Total force in current bend is zero
 
-    atom1_->addFrc(force1);
+    atoms_[0]->addFrc(force1);
     ghostAtom->addFrc(-force1);
 
     ghostAtom->addTrq( cross(r23, force3) );    
+    if(doParticlePot) {
+      atoms_[0]->addParticlePot(potential_);
+      ghostAtom->addParticlePot(potential_);
+    }
 
-    atom1_->addParticlePot(potential_);
-    ghostAtom->addParticlePot(potential_);
-
     angle = theta /M_PI * 180.0;
    
   }