| 113 |
|
double d0; |
| 114 |
|
}; |
| 115 |
|
|
| 116 |
+ |
class HarmonicBond : public Bond{ |
| 117 |
+ |
|
| 118 |
+ |
public: |
| 119 |
+ |
HarmonicBond(Atom &a, Atom &b, double theR0, double theK0 ); |
| 120 |
+ |
~HarmonicBond(){} |
| 121 |
+ |
|
| 122 |
+ |
void printMe( void ){ |
| 123 |
+ |
std::cerr << c_p_a->getType() << " - " << c_p_b->getType() |
| 124 |
+ |
<< ": " << c_p_a->getIndex() << " - " |
| 125 |
+ |
<< c_p_b->getIndex() |
| 126 |
+ |
<< ", d0 = " << d0 << ", k0" << k0 <<"\n"; |
| 127 |
+ |
} |
| 128 |
+ |
|
| 129 |
+ |
private: |
| 130 |
+ |
double bond_force( double r_ab ); |
| 131 |
+ |
double d0; |
| 132 |
+ |
double k0; |
| 133 |
+ |
|
| 134 |
+ |
}; |
| 135 |
+ |
|
| 136 |
|
class QuadraticBend : public Bend{ |
| 137 |
|
|
| 138 |
|
public: |