| # | Line 135 | Line 135 | template<typename T> void Integrator<T>::checkConstrai | |
|---|---|---|
| 135 | } | |
| 136 | ||
| 137 | ||
| 138 | < | // save oldAtoms to check for lode balanceing later on. |
| 138 | > | // save oldAtoms to check for lode balancing later on. |
| 139 | ||
| 140 | oldAtoms = nAtoms; | |
| 141 | ||
| # | Line 180 | Line 180 | template<typename T> void Integrator<T>::integrate(voi | |
| 180 | ||
| 181 | calcForce(1, 1); | |
| 182 | ||
| 183 | + | //temp test |
| 184 | + | tStats->getPotential(); |
| 185 | + | |
| 186 | if (nConstrained){ | |
| 187 | preMove(); | |
| 188 | constrainA(); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |