--- trunk/src/applications/staticProps/P2OrderParameter.hpp	2006/05/17 21:51:42	963
+++ trunk/src/applications/staticProps/P2OrderParameter.hpp	2011/10/18 13:44:44	1657
@@ -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.
@@ -37,6 +28,15 @@
  * 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).                        
  */
 #ifndef APPLICATIONS_STATICPROPS_P2ORDERPARAMETER_HPP
 #define APPLICATIONS_STATICPROPS_P2ORDERPARAMETER_HPP
@@ -44,34 +44,44 @@
 #include "selection/SelectionManager.hpp"
 #include "applications/staticProps/StaticAnalyser.hpp"
 
-namespace oopse {
+using namespace std;
+namespace OpenMD {
 
-    class P2OrderParameter : public StaticAnalyser{
-        public:
-            P2OrderParameter(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2);
-            virtual void process();
-
-        private:
-
-            struct OrderParam{
-                RealType p2;
-                Vector3d director;
-                RealType angle;
-            };            
-            void writeP2();
-
-            Snapshot* currentSnapshot_;
-
-            std::string selectionScript1_;
-            std::string selectionScript2_;
-            SelectionManager seleMan1_;
-            SelectionManager seleMan2_;       
-            SelectionEvaluator evaluator1_;
-            SelectionEvaluator evaluator2_;
-            std::vector<std::pair<StuntDouble*, StuntDouble*> > sdPairs_;  /**< each pair is used to define a vector, vector = first - second */
-            std::vector<OrderParam> orderParams_;
-            
+  class P2OrderParameter : public StaticAnalyser{
+  public:    
+    P2OrderParameter(SimInfo* info, const string& filename,
+                     const string& sele1);
+    P2OrderParameter(SimInfo* info, const string& filename, 
+                     const string& sele1, const string& sele2);
+    virtual void process();
+    
+  private:
+    
+    struct OrderParam{
+      RealType p2;
+      Vector3d director;
+      RealType angle;
+      RealType p4;
     };
+            
+    void writeP2();
+    
+    Snapshot* currentSnapshot_;
+    
+    bool doVect_;
+    string selectionScript1_;
+    string selectionScript2_;
+    SelectionManager seleMan1_;
+    SelectionManager seleMan2_;       
+    SelectionEvaluator evaluator1_;
+    SelectionEvaluator evaluator2_;
+    vector<pair<StuntDouble*, StuntDouble*> > sdPairs_;  /**< each pair is used
+                                                            to define a vector,
+                                                            v = first - second 
+                                                         */
+    vector<OrderParam> orderParams_;
+    
+  };
 }
 
 #endif