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root/OpenMD/trunk/src/primitives/Inversion.hpp
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Comparing trunk/src/primitives/Inversion.hpp (file contents):
Revision 1953 by gezelter, Thu Dec 5 18:19:26 2013 UTC vs.
Revision 2066 by gezelter, Thu Mar 5 15:22:54 2015 UTC

# Line 71 | Line 71 | namespace OpenMD {
71     */
72    class Inversion : public ShortRangeInteraction {
73    public:
74 +    using ShortRangeInteraction::getValue;
75 +    using ShortRangeInteraction::getPrevValue;
76 +
77      Inversion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, InversionType* it);
78      virtual ~Inversion() {}
79      virtual void calcForce(RealType& angle, bool doParticlePot);
# Line 92 | Line 95 | namespace OpenMD {
95        
96        //  Calculate the cross products and distances
97        Vector3d A = cross(r31, r43);
95 –      RealType rA = A.length();
98        Vector3d B = cross(r43, r23);
97 –      RealType rB = B.length();
98 –      //Vector3d C = cross(r23, A);
99 –      //RealType rC = C.length();
99        
100        A.normalize();
101        B.normalize();
103 –      //C.normalize();
102        
103        //  Calculate the sin and cos
104        RealType cos_phi = dot(A, B) ;

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