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root/OpenMD/trunk/src/applications/staticProps/GofRZ.hpp
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Comparing trunk/src/applications/staticProps/GofRZ.hpp (file contents):
Revision 1444 by chuckv, Tue Jun 8 18:35:22 2010 UTC vs.
Revision 1785 by jmichalk, Wed Aug 22 18:43:27 2012 UTC

# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42   #ifndef APPLICATIONS_STATICPROPS_GOFRZ_HPP
43   #define APPLICATIONS_STATICPROPS_GOFRZ_HPP
# Line 44 | Line 45 | namespace OpenMD {
45   #include "applications/staticProps/RadialDistrFunc.hpp"
46   namespace OpenMD {
47  
48 <  class GofRZ : public RadialDistrFunc {
48 >    class GofRZ : public RadialDistrFunc {
49      
50 <  public:
51 <    GofRZ(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType len, int nrbins, int nZBins);
50 >    public:
51 >        GofRZ(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, RealType len, RealType zlen, int nrbins, int nZBins);
52  
53 <    int getNRBins() {
54 <      return nRBins_;
55 <    }
53 >        int getNRBins() {
54 >            return nRBins_;
55 >        }
56      
57 <    RealType getLength() {
58 <      return len_;
59 <    }
57 >        RealType getLength() {
58 >            return len_;
59 >        }
60  
61 <    int getNZBins() {return nZBins_;}
61 >        int getNZBins() {return nZBins_;}
62          
63 <  private:
63 >    private:
64  
65 <    virtual void preProcess();
66 <    virtual void initalizeHistogram();
67 <    virtual void processHistogram();
68 <    virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
65 >        virtual void preProcess();
66 >        virtual void initializeHistogram();
67 >        virtual void processHistogram();
68 >        virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
69  
70 <    virtual void writeRdf();
70 >        virtual void writeRdf();
71  
72 <    RealType len_;
73 <    RealType zLen_;
74 <    int nRBins_;
75 <    RealType deltaR_;
76 <    int nZBins_;
77 <    RealType deltaZ_;
72 >        RealType len_;
73 >        RealType zLen_;
74 >        int nRBins_;
75 >        RealType deltaR_;
76 >        int nZBins_;
77 >        RealType deltaZ_;
78          
79 <    std::vector<std::vector<int> > histogram_;
80 <    std::vector<std::vector<RealType> > avgGofr_;
81 <    int npairs_;
82 <  };
79 >        std::vector<std::vector<int> > histogram_;
80 >        std::vector<std::vector<RealType> > avgGofr_;
81 >        int npairs_;
82 >    };
83   }
84   #endif
85  

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