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root/OpenMD/trunk/src/applications/staticProps/BondOrderParameter.hpp
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Comparing trunk/src/applications/staticProps/BondOrderParameter.hpp (file contents):
Revision 1051 by gezelter, Mon Sep 25 22:08:33 2006 UTC vs.
Revision 1053 by gezelter, Tue Sep 26 14:33:56 2006 UTC

# Line 52 | Line 52 | namespace oopse {
52    class BondOrderParameter : public StaticAnalyser{
53    public:
54      BondOrderParameter(SimInfo* info, const std::string& filename,
55 <                       const std::string& sele, double rCut, int lMax, int nbins);
55 >                       const std::string& sele, double rCut, int nbins);
56  
57      virtual ~BondOrderParameter();
58      virtual void process();
# Line 61 | Line 61 | namespace oopse {
61      
62      void writeOrderParameter(std::vector<RealType> Q, std::vector<ComplexType> What);
63      virtual void initalizeHistogram();
64 <    virtual void collectHistogram(std::vector<RealType> q);
64 >    virtual void collectHistogram(std::vector<RealType> q, std::vector<ComplexType> what);
65  
66      Snapshot* currentSnapshot_;
67  
# Line 70 | Line 70 | namespace oopse {
70      SelectionEvaluator evaluator_;          
71              
72      RealType rCut_;
73 <    int lMax_;
73 >    static const int lMax_ = 12;
74      int frameCounter_;
75      int nBins_;
76 <
76 >    
77 >    std::map<std::pair<int,int>,int> m2Min;
78 >    std::map<std::pair<int,int>,int> m2Max;
79 >    std::map<std::pair<int,int>,std::vector<RealType> > w3j;
80 >  
81      RealType MinQ_;
82      RealType MaxQ_;
83      RealType deltaQ_;

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