--- trunk/src/applications/staticProps/BondAngleDistribution.cpp	2012/08/22 18:43:27	1785
+++ trunk/src/applications/staticProps/BondAngleDistribution.cpp	2015/03/07 21:41:51	2071
@@ -35,7 +35,7 @@
  *                                                                      
  * [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).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
  * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
  * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
  *  Created by J. Daniel Gezelter on 07/27/07.
@@ -50,14 +50,15 @@
 #include "primitives/Molecule.hpp"
 #include "utils/NumericConstant.hpp"
 
+using namespace std;
 namespace OpenMD {
 
   BondAngleDistribution::BondAngleDistribution(SimInfo* info, 
-                                              const std::string& filename, 
-                                              const std::string& sele,
-                                              double rCut, int nbins) : StaticAnalyser(info, filename), 
-                                              selectionScript_(sele), 
-			                                        evaluator_(info), seleMan_(info){
+                                               const string& filename, 
+                                               const string& sele, 
+                                               double rCut, int nbins) 
+    : StaticAnalyser(info, filename), selectionScript_(sele), seleMan_(info), 
+      evaluator_(info) {
     
     setOutputName(getPrefix(filename) + ".bad");
     
@@ -71,8 +72,8 @@ namespace OpenMD {
     rCut_ = rCut;
     nBins_ = nbins;
 
-
     // Theta can take values from 0 to 180    
+
     deltaTheta_ = (180.0) / nBins_;
     histogram_.resize(nBins_);
   }
@@ -98,7 +99,6 @@ namespace OpenMD {
     StuntDouble* sd;
     Vector3d vec;
     std::vector<Vector3d> bondvec;
-    std::vector<RealType> bonddist;
     RealType r;    
     int nBonds;    
     int i;
@@ -174,14 +174,14 @@ namespace OpenMD {
               Vector3d vec2 = bondvec[j];
               
               vec2.normalize();
-             
+	      
               RealType theta = acos(dot(vec1,vec2))*180.0/NumericConstant::PI;
-               
               
+              
               if (theta > 180.0){
                 theta = 360.0 - theta;
               }
-              int whichBin = theta/deltaTheta_;
+              int whichBin = int(theta/deltaTheta_);
               
               histogram_[whichBin] += 2;
             }