| # | Line 68 | Line 68 | template<typename T> void Integrator<T>::checkConstrai | |
|---|---|---|
| 68 | ||
| 69 | SRI** theArray; | |
| 70 | for (int i = 0; i < nMols; i++){ | |
| 71 | < | theArray = (SRI * *) molecules[i].getMyBonds(); |
| 71 | > | |
| 72 | > | theArray = (SRI * *) molecules[i].getMyBonds(); |
| 73 | for (int j = 0; j < molecules[i].getNBonds(); j++){ | |
| 74 | constrained = theArray[j]->is_constrained(); | |
| 75 | ||
| # | Line 114 | Line 115 | template<typename T> void Integrator<T>::checkConstrai | |
| 115 | } | |
| 116 | } | |
| 117 | ||
| 118 | + | |
| 119 | if (nConstrained > 0){ | |
| 120 | isConstrained = 1; | |
| 121 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |