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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 1040 by gezelter, Tue Sep 19 21:20:15 2006 UTC vs.
Revision 1048 by gezelter, Fri Sep 22 01:36:27 2006 UTC

# Line 57 | Line 57 | namespace oopse {
57      virtual void process();
58  
59    private:
60 <            
61 <    void writeOrderParameter();
60 >    
61 >    void writeOrderParameter(RealType Q_l, RealType W_l_hat);
62      virtual void initalizeHistogram();
63 <    virtual void collectHistogram(RealType Q_l, RealType W_l_hat);
64 <    virtual void processHistogram();
63 >    virtual void collectHistogram(RealType q_l, RealType w_l);
64  
65      Snapshot* currentSnapshot_;
66  
# Line 72 | Line 71 | namespace oopse {
71      RealType rCut_;
72      int lNumber_;
73      int mSize_;    
74 +    int frameCounter_;
75  
76 +    RealType MinQ_;
77      RealType MaxQ_;
78      RealType deltaQ_;
79 +    RealType sumQ_;
80 +    RealType sumQ2_;
81 +    int Qcount_;
82 +    std::vector<int> Q_histogram_;
83  
84 +    RealType MinW_;
85      RealType MaxW_;
86      RealType deltaW_;
87 <
88 <    std::vector<int> Q_histogram_;
87 >    RealType sumW_;
88 >    RealType sumW2_;
89 >    int Wcount_;
90      std::vector<int> W_histogram_;
84 –
91    };
92   }
93  

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