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root/group/trunk/OOPSE/libmdtools/SRI.hpp
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Comparing trunk/OOPSE/libmdtools/SRI.hpp (file contents):
Revision 435 by mmeineke, Fri Mar 28 19:33:37 2003 UTC vs.
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC

# Line 4 | Line 4
4   #include <iostream>
5  
6   #include "Atom.hpp"
7 + #include "DirectionalAtom.hpp"
8   #include "AbstractClasses.hpp"
9  
10   // a little home-made vector structure
# Line 113 | Line 114 | class QuadraticBend : public Bend{
114    double d0;
115   };
116  
117 + class HarmonicBond : public Bond{
118 +
119 + public:
120 +  HarmonicBond(Atom &a, Atom &b, double theR0, double theK0 );
121 +  ~HarmonicBond(){}
122 +
123 +  void printMe( void ){
124 +    std::cerr << c_p_a->getType() << " - " << c_p_b->getType()
125 +              << ": " << c_p_a->getIndex() << " - "
126 +              << c_p_b->getIndex()
127 +              << ", d0 = " << d0 << ", k0 = " << k0 <<"\n";
128 +  }
129 +
130 +  private:
131 +  double bond_force( double r_ab );
132 +  double d0;
133 +  double k0;
134 +
135 + };
136 +
137   class QuadraticBend : public Bend{
138  
139   public:

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