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root/group/trunk/OOPSE-2.0/src/types/CubicTorsionType.hpp
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Comparing trunk/OOPSE-2.0/src/types/CubicTorsionType.hpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2448 by tim, Wed Nov 16 23:10:02 2005 UTC

# Line 78 | Line 78 | namespace oopse {
78        k0 = k0_;
79      }
80  
81 <    virtual void calcForce(double cosPhi, double sinPhi, double& V, double& dVdPhi){
81 >    virtual void calcForce(double cosPhi, double& V, double& dVdCosPhi){
82        double cosPhi2 = cosPhi * cosPhi;
83        double cosPhi3 = cosPhi2 * cosPhi;
84              
85        V =k0_ + k1_ * cosPhi + k2_*cosPhi2 + k3_*cosPhi3;
86 <      dVdPhi = k1_ + 2.0*k2_ * cosPhi + 3.0 * k3_*cosPhi2;    
87 <      dVdPhi *= -sinPhi;
86 >      dVdCosPhi = k1_ + 2.0*k2_ * cosPhi + 3.0 * k3_*cosPhi2;    
87      }
88          
89    private:

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