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root/group/trunk/OOPSE-4/src/types/CubicBendType.hpp
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Comparing trunk/OOPSE-4/src/types/CubicBendType.hpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2759 by tim, Wed May 17 21:51:42 2006 UTC

# Line 60 | Line 60 | namespace oopse {
60  
61    public:
62  
63 <    CubicBendType(double theta, double k3, double k2, double k1, double k0)
63 >    CubicBendType(RealType theta, RealType k3, RealType k2, RealType k1, RealType k0)
64        : BendType(theta),k3_(k3), k2_(k2),  k1_(k1), k0_(k0){
65        }
66  
67 <    void setForceConstant(double k3, double k2, double k1, double k0) {
67 >    void setForceConstant(RealType k3, RealType k2, RealType k1, RealType k0) {
68        k3_ = k3;
69        k2_ = k2;
70        k1_ = k1;
71        k0_ = k0;
72      }
73  
74 <    void getForceConstant(double& k3, double& k2, double& k1, double& k0) {
74 >    void getForceConstant(RealType& k3, RealType& k2, RealType& k1, RealType& k0) {
75        k3 = k3_;
76        k2  = k2_;
77        k1 = k1_;
78        k0 = k0_;
79      }
80  
81 <    virtual void calcForce(double theta, double& V, double& dVdTheta) {
82 <      double delta =  theta- theta0_;
83 <      double delta2 = delta * delta;
84 <      double delta3 = delta2 * delta;
81 >    virtual void calcForce(RealType theta, RealType& V, RealType& dVdTheta) {
82 >      RealType delta =  theta- theta0_;
83 >      RealType delta2 = delta * delta;
84 >      RealType delta3 = delta2 * delta;
85  
86        V =k0_ + k1_ * delta + k2_*delta2 + k3_*delta3;
87        dVdTheta = k1_ + 2.0*k2_ * delta + 3.0 * k3_*delta2;
# Line 89 | Line 89 | namespace oopse {
89          
90    private:
91  
92 <    double k3_;
93 <    double k2_;
94 <    double k1_;
95 <    double k0_;
92 >    RealType k3_;
93 >    RealType k2_;
94 >    RealType k1_;
95 >    RealType k0_;
96  
97    };
98  

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