--- trunk/src/applications/staticProps/Hxy.cpp	2006/05/23 21:12:45	969
+++ trunk/src/applications/staticProps/Hxy.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.
@@ -38,13 +29,19 @@
  * 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).                        
  *
- *  Hxy.cpp
- *  OOPSE-2.0
  *
  *  Created by Xiuquan Sun on 05/09/06.
  *  @author  Xiuquan Sun 
- *  @version $Id: Hxy.cpp,v 1.6 2006-05-23 21:12:45 xsun Exp $
+ *  @version $Id: Hxy.cpp,v 1.8 2009-11-25 20:01:59 gezelter Exp $
  *
  */
 
@@ -61,7 +58,7 @@
 #include<stdlib.h>
 #include<math.h>
 
-namespace oopse {
+namespace OpenMD {
   
   Hxy::Hxy(SimInfo* info, const std::string& filename, const std::string& sele, int nbins_x, int nbins_y, int nrbins)
     : StaticAnalyser(info, filename), selectionScript_(sele),  evaluator_(info), seleMan_(info), nBinsX_(nbins_x), nBinsY_(nbins_y), nbins_(nrbins){
@@ -204,7 +201,8 @@ namespace oopse {
       //wrap the stuntdoubles into a cell     
       for (sd = seleMan_.beginSelected(i); sd != NULL; sd = seleMan_.nextSelected(i)) {
 	Vector3d pos = sd->getPos();
-	currentSnapshot_->wrapVector(pos);
+        if (usePeriodicBoundaryConditions_)
+          currentSnapshot_->wrapVector(pos);
 	sd->setPos(pos);
       }