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Comparing trunk/src/applications/staticProps/pAngle.hpp (file contents):
Revision 1413 by gezelter, Mon Mar 22 19:21:22 2010 UTC vs.
Revision 1979 by gezelter, Sat Apr 5 20:56:01 2014 UTC

# Line 35 | Line 35
35   *                                                                      
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).                    
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39 > * [4]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).                    
40   *
41   */
42   #ifndef APPLICATIONS_STATICPROPS_PANGLE_HPP
# Line 49 | Line 49
49   #include "utils/NumericConstant.hpp"
50   #include "applications/staticProps/StaticAnalyser.hpp"
51  
52 + using namespace std;
53   namespace OpenMD {
54    
55    class pAngle : public StaticAnalyser {
56      
57    public:
58 <    pAngle(SimInfo* info, const std::string& filename, const std::string& sele, int nzbins);
58 >    pAngle(SimInfo* info, const string& filename,
59 >           const string& sele1, int nzbins);
60 >    pAngle(SimInfo* info, const string& filename,
61 >           const string& sele1, const string& sele2, int nzbins);
62 >    pAngle(SimInfo* info, const string& filename,
63 >           const string& sele, const int seleOffset, int nzbins);
64      
65      int getNThetaBins() {
66        return nThetaBins_;
# Line 68 | Line 74 | namespace OpenMD {
74      void writeProbs();
75          
76      Snapshot* currentSnapshot_;
77 <    
78 <    int nProcessed_;
79 <    std::string selectionScript_;
80 <    SelectionEvaluator evaluator_;
81 <    SelectionManager seleMan_;
82 <    
83 <    int nThetaBins_;
84 <    
85 <    std::vector<int> count_;
86 <    std::vector<RealType> histogram_;
77 >
78 >    bool doVect_;
79 >    bool doOffset_;
80 >    string selectionScript1_;
81 >    string selectionScript2_;
82 >    SelectionManager seleMan1_;
83 >    SelectionManager seleMan2_;      
84 >    SelectionEvaluator evaluator1_;
85 >    SelectionEvaluator evaluator2_;
86 >    int seleOffset_;
87 >
88 >    int nProcessed_;    
89 >    int nThetaBins_;    
90 >    vector<int> count_;
91 >    vector<RealType> histogram_;
92    };
93    
94   }

Comparing trunk/src/applications/staticProps/pAngle.hpp (property svn:keywords):
Revision 1413 by gezelter, Mon Mar 22 19:21:22 2010 UTC vs.
Revision 1979 by gezelter, Sat Apr 5 20:56:01 2014 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

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