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root/OpenMD/trunk/src/integrators/Integrator.hpp
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Comparing trunk/src/integrators/Integrator.hpp (file contents):
Revision 506 by chrisfen, Thu Mar 10 15:10:24 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 39 | Line 39
39   * such damages.
40   */
41  
42 < /**
43 <  * @file Integrator.hpp
44 <  * @author tlin
45 <  * @date 11/08/2004
46 <  * @time 13:25am
47 <  * @version 1.0
48 <  */
42 > /**
43 > * @file Integrator.hpp
44 > * @author tlin
45 > * @date 11/08/2004
46 > * @time 13:25am
47 > * @version 1.0
48 > */
49  
50   #ifndef INTEGRATORS_INTEGRATOR_HPP
51   #define INTEGRATORS_INTEGRATOR_HPP
# Line 60 | Line 60 | namespace oopse {
60   namespace oopse {
61  
62  
63 < /**
64 < * @class Integrator Integrator.hpp "integrators/Integrator.hpp"
65 < * @brief Base class of Integrator
66 < * @todo document
67 < */
68 < class Integrator {
69 <    public:
63 >  /**
64 >   * @class Integrator Integrator.hpp "integrators/Integrator.hpp"
65 >   * @brief Base class of Integrator
66 >   * @todo document
67 >   */
68 >  class Integrator {
69 >  public:
70  
71 <        virtual ~Integrator();
71 >    virtual ~Integrator();
72  
73 <        //avoid public virtual function        
74 <        void integrate() {
75 <            doIntegrate();
76 <        }
73 >    //avoid public virtual function        
74 >    void integrate() {
75 >      doIntegrate();
76 >    }
77  
78 <        void update() {
79 <            doUpdate();
80 <        }
78 >    void update() {
79 >      doUpdate();
80 >    }
81  
82 <        void setForceManager(ForceManager* forceMan) {
83 <            if (forceMan_ != forceMan && forceMan_  != NULL) {
84 <                delete forceMan_;
85 <            }
86 <            forceMan_ = forceMan;
87 <        }
82 >    void setForceManager(ForceManager* forceMan) {
83 >      if (forceMan_ != forceMan && forceMan_  != NULL) {
84 >        delete forceMan_;
85 >      }
86 >      forceMan_ = forceMan;
87 >    }
88  
89 <        void setVelocitizer(Velocitizer* velocitizer) {
90 <            if (velocitizer_ != velocitizer && velocitizer_  != NULL) {
91 <                delete velocitizer_;
92 <            }
93 <            velocitizer_  = velocitizer;
94 <        }
89 >    void setVelocitizer(Velocitizer* velocitizer) {
90 >      if (velocitizer_ != velocitizer && velocitizer_  != NULL) {
91 >        delete velocitizer_;
92 >      }
93 >      velocitizer_  = velocitizer;
94 >    }
95          
96 <    protected:
96 >  protected:
97  
98 <        Integrator(SimInfo* info);
98 >    Integrator(SimInfo* info);
99  
100 <        virtual void doIntegrate() = 0;
100 >    virtual void doIntegrate() = 0;
101  
102 <        virtual void doUpdate() {}
102 >    virtual void doUpdate() {}
103          
104 <        void saveConservedQuantity() {
105 <            currentSnapshot_->statData[Stats::CONSERVED_QUANTITY] = calcConservedQuantity();
106 <        }
104 >    void saveConservedQuantity() {
105 >      currentSnapshot_->statData[Stats::CONSERVED_QUANTITY] = calcConservedQuantity();
106 >    }
107          
108 <        SimInfo* info_;
109 <        Globals* simParams;
110 <        ForceManager* forceMan_;
111 <        bool needPotential;
112 <        bool needStress;
108 >    SimInfo* info_;
109 >    Globals* simParams;
110 >    ForceManager* forceMan_;
111 >    bool needPotential;
112 >    bool needStress;
113          
114 <        Velocitizer* velocitizer_;
115 <        bool needVelocityScaling;
116 <        double targetScalingTemp;
114 >    Velocitizer* velocitizer_;
115 >    bool needVelocityScaling;
116 >    double targetScalingTemp;
117      
118 <        DumpWriter* dumpWriter;
119 <        StatWriter* statWriter;
120 <        RestWriter* restWriter;
121 <        Thermo thermo;
118 >    DumpWriter* dumpWriter;
119 >    StatWriter* statWriter;
120 >    RestWriter* restWriter;
121 >    Thermo thermo;
122  
123 <        double runTime;
124 <        double sampleTime;
125 <        double statusTime;
126 <        double thermalTime;
127 <        double dt;
123 >    double runTime;
124 >    double sampleTime;
125 >    double statusTime;
126 >    double thermalTime;
127 >    double dt;
128  
129 <        Snapshot* currentSnapshot_; //During the integration, the address of currentSnapshot Will not change
129 >    Snapshot* currentSnapshot_; //During the integration, the address of currentSnapshot Will not change
130  
131          
132 <    private:
132 >  private:
133          
134 <        virtual double calcConservedQuantity() = 0;
134 >    virtual double calcConservedQuantity() = 0;
135          
136 <        virtual DumpWriter* createDumpWriter() = 0;
136 >    virtual DumpWriter* createDumpWriter() = 0;
137  
138 <        virtual StatWriter* createStatWriter() = 0;
139 < };
138 >    virtual StatWriter* createStatWriter() = 0;
139 >  };
140  
141      
142   }

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