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root/OpenMD/trunk/src/primitives/Bend.hpp
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Comparing trunk/src/primitives/Bend.hpp (file contents):
Revision 962 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 53 | Line 53 | struct BendData {
53   #include "types/BendType.hpp"
54   namespace oopse {
55   struct BendData {
56 <    double angle;
57 <    double potential;
56 >    RealType angle;
57 >    RealType potential;
58   };
59  
60   struct BendDataSet {
61 <    double deltaV;
61 >    RealType deltaV;
62      BendData prev;
63      BendData curr;
64   };
# Line 69 | Line 69 | struct BendDataSet {
69        : atom1_(atom1), atom2_(atom2), atom3_(atom3), bendType_(bt) {}
70  
71      virtual ~Bend() {}
72 <    virtual void calcForce(double& angle);
72 >    virtual void calcForce(RealType& angle);
73          
74 <    double getPotential() {
74 >    RealType getPotential() {
75        return potential_;
76      }
77  
# Line 93 | Line 93 | struct BendDataSet {
93  
94    protected:
95          
96 <    double potential_;
96 >    RealType potential_;
97      Atom* atom1_;
98      Atom* atom2_;
99      Atom* atom3_;

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