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root/OpenMD/trunk/src/primitives/Bend.hpp
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Comparing trunk/src/primitives/Bend.hpp (file contents):
Revision 1954 by gezelter, Thu Dec 5 18:19:26 2013 UTC vs.
Revision 1955 by gezelter, Thu Dec 5 21:55:42 2013 UTC

# Line 69 | Line 69 | namespace OpenMD {
69    
70    class Bend : public ShortRangeInteraction {
71    public:
72 +    using ShortRangeInteraction::getValue;
73 +    using ShortRangeInteraction::getPrevValue;
74      Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt)
75        : ShortRangeInteraction(), bendType_(bt) {
76        atoms_.resize(3);
# Line 88 | Line 90 | namespace OpenMD {
90        Vector3d r21 = pos1 - pos2;
91        RealType d21 = r21.length();
92        
91 –      RealType d21inv = 1.0 / d21;
92 –    
93        Vector3d r23 = pos3 - pos2;
94        RealType d23 = r23.length();
95        
96 –      RealType d23inv = 1.0 / d23;
97 –      
96        RealType cosTheta = dot(r21, r23) / (d21 * d23);
97        
98        //check roundoff    

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