--- trunk/src/primitives/Torsion.cpp	2006/05/17 21:51:42	963
+++ trunk/src/primitives/Torsion.cpp	2009/11/25 20:02:06	1390
@@ -6,19 +6,10 @@
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 2. Redistributions in binary form must reproduce the above copyright
  *    notice, this list of conditions and the following disclaimer in the
  *    documentation and/or other materials provided with the
  *    distribution.
@@ -37,11 +28,20 @@
  * arising out of the use of or inability to use software, even if the
  * University of Notre Dame has been advised of the possibility of
  * such damages.
+ *
+ * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work.  Good starting points are:
+ *                                                                      
+ * [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).                        
  */
  
 #include "primitives/Torsion.hpp"
 
-namespace oopse {
+namespace OpenMD {
 
   Torsion::Torsion(Atom *atom1, Atom *atom2, Atom *atom3, Atom *atom4,
 		   TorsionType *tt) :
@@ -77,9 +77,9 @@ namespace oopse {
 
     RealType dVdcosPhi;
     torsionType_->calcForce(cos_phi, potential_, dVdcosPhi);
-    Vector3d f1;
-    Vector3d f2;
-    Vector3d f3;
+    Vector3d f1 ;
+    Vector3d f2 ;
+    Vector3d f3 ;
 
     Vector3d dcosdA = (cos_phi * A - B) /rA;
     Vector3d dcosdB = (cos_phi * B - A) /rB;
@@ -92,6 +92,12 @@ namespace oopse {
     atom2_->addFrc(f2 - f1);
     atom3_->addFrc(f3 - f2);
     atom4_->addFrc(-f3);
+
+    atom1_->addParticlePot(potential_);
+    atom2_->addParticlePot(potential_);
+    atom3_->addParticlePot(potential_);
+    atom4_->addParticlePot(potential_);
+
     angle = acos(cos_phi) /M_PI * 180.0;
   }