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root/group/trunk/OOPSE-4/src/types/CharmmTorsionType.hpp
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Comparing trunk/OOPSE-4/src/types/CharmmTorsionType.hpp (file contents):
Revision 2448 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 2759 by tim, Wed May 17 21:51:42 2006 UTC

# Line 58 | Line 58 | namespace oopse {
58   namespace oopse {
59  
60    struct CharmmTorsionParameter {
61 <    double kchi;
61 >    RealType kchi;
62      int n;
63 <    double delta;
63 >    RealType delta;
64    };
65  
66    class LessThanPeriodicityFunctor {
# Line 76 | Line 76 | namespace oopse {
76    public:
77      CharmmTorsionType(std::vector<CharmmTorsionParameter>& parameters);
78              
79 <    virtual void calcForce(double cosPhi, double& V, double& dVdCosPhi) { torsionType_->calcForce(cosPhi, V, dVdCosPhi);}
79 >    virtual void calcForce(RealType cosPhi, RealType& V, RealType& dVdCosPhi) { torsionType_->calcForce(cosPhi, V, dVdCosPhi);}
80  
81    private:    
82      PolynomialTorsionType* torsionType_;

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