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root/group/trunk/OOPSE-4/src/types/QuarticBendType.hpp
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Comparing trunk/OOPSE-4/src/types/QuarticBendType.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 <    QuarticBendType(double r0, double k4, double k3, double k2, double k1, double k0)
63 >    QuarticBendType(RealType r0, RealType k4, RealType k3, RealType k2, RealType k1, RealType k0)
64        : BendType(r0), k4_(k4), k3_(k3), k2_(k2),  k1_(k1), k0_(k0){
65        }
66  
67 <    void setForceConstant(double k4, double k3, double k2, double k1, double k0) {
67 >    void setForceConstant(RealType k4, RealType k3, RealType k2, RealType k1, RealType k0) {
68        k4_ = k4;
69        k3_ = k3;
70        k2_ = k2;
# Line 73 | Line 73 | namespace oopse {
73  
74      }
75  
76 <    void getForceConstant(double& k4, double& k3, double& k2, double& k1, double& k0) {
76 >    void getForceConstant(RealType& k4, RealType& k3, RealType& k2, RealType& k1, RealType& k0) {
77        k4 = k4_;
78        k3 = k3_;
79        k2  = k2_;
# Line 81 | Line 81 | namespace oopse {
81        k0 = k0_;
82      }
83  
84 <    virtual void calcForce(double theta, double& V, double& dVdTheta) {
85 <      double delta =  theta- theta0_;
86 <      double delta2 = delta * delta;
87 <      double delta3 = delta2 * delta;
88 <      double delta4 = delta3 * delta;
84 >    virtual void calcForce(RealType theta, RealType& V, RealType& dVdTheta) {
85 >      RealType delta =  theta- theta0_;
86 >      RealType delta2 = delta * delta;
87 >      RealType delta3 = delta2 * delta;
88 >      RealType delta4 = delta3 * delta;
89              
90        V =k0_ + k1_ * delta + k2_*delta2 + k3_*delta3 + k4_*delta4;
91        dVdTheta = k1_ + 2.0*k2_ * delta + 3.0 * k3_*delta2 + 4.0*k4_*delta3;            
# Line 93 | Line 93 | namespace oopse {
93          
94    private:
95  
96 <    double k4_;
97 <    double k3_;
98 <    double k2_;
99 <    double k1_;
100 <    double k0_;
96 >    RealType k4_;
97 >    RealType k3_;
98 >    RealType k2_;
99 >    RealType k1_;
100 >    RealType k0_;
101  
102    };
103  

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