| 51 |
|
#endif |
| 52 |
|
|
| 53 |
|
/* Remove me after testing*/ |
| 54 |
+ |
/* |
| 55 |
|
#include <cstdio> |
| 56 |
|
#include <iostream> |
| 57 |
+ |
*/ |
| 58 |
|
/*End remove me*/ |
| 59 |
|
|
| 60 |
|
namespace oopse { |
| 105 |
|
Molecule::IntegrableObjectIterator j; |
| 106 |
|
Molecule * mol; |
| 107 |
|
StuntDouble * integrableObject; |
| 108 |
< |
|
| 108 |
> |
|
| 109 |
|
kebar = kb * temperature * info_->getNdfRaw() / (2.0 * info_->getNdf()); |
| 110 |
|
for( mol = info_->beginMolecule(i); mol != NULL; |
| 111 |
|
mol = info_->nextMolecule(i) ) { |
| 205 |
|
<< angularMomentum << std::endl; |
| 206 |
|
std::cerr << "Inertia Tensor before is " |
| 207 |
|
<< inertiaTensor << std::endl; |
| 208 |
< |
*/ |
| 208 |
> |
*/ |
| 209 |
|
inertiaTensor =inertiaTensor.inverse(); |
| 210 |
|
/* |
| 211 |
|
std::cerr << "Inertia Tensor after inverse is " |
| 235 |
|
/* |
| 236 |
|
std::cerr << "Angular Momentum after is " |
| 237 |
|
<< angularMomentum << std::endl; |
| 238 |
< |
*/ |
| 237 |
< |
|
| 238 |
> |
*/ |
| 239 |
|
} |
| 240 |
|
|
| 241 |
|
|
