| # | Line 356 | Line 356 | template<typename T> void Integrator<T>::moveA(void){ | |
|---|---|---|
| 356 | // rotate about the x-axis | |
| 357 | angle = dt2 * ji[0] / I[0][0]; | |
| 358 | this->rotate(1, 2, angle, ji, A); | |
| 359 | – | |
| 359 | ||
| 360 | dAtom->setJ(ji); | |
| 361 | dAtom->setA(A); | |
| # | Line 754 | Line 753 | template<typename T> void Integrator<T>::thermalize(){ | |
| 753 | template<typename T> void Integrator<T>::thermalize(){ | |
| 754 | tStats->velocitize(); | |
| 755 | } | |
| 756 | + | |
| 757 | + | template<typename T> double Integrator<T>::getConservedQuantity(void){ |
| 758 | + | return tStats->getTotalE(); |
| 759 | + | } |
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