| # | Line 182 | Line 182 | template<typename T> void Integrator<T>::integrate(voi | |
|---|---|---|
| 182 | // initialize the forces before the first step | |
| 183 | ||
| 184 | calcForce(1, 1); | |
| 185 | – | |
| 186 | – | //temp test |
| 187 | – | tStats->getPotential(); |
| 185 | ||
| 186 | if (nConstrained){ | |
| 187 | preMove(); | |
| # | Line 213 | Line 210 | template<typename T> void Integrator<T>::integrate(voi | |
| 210 | MPIcheckPoint(); | |
| 211 | #endif // is_mpi | |
| 212 | ||
| 213 | < | while (info->getTime() < runTime && stopIntegrator()){ |
| 213 | > | while (info->getTime() < runTime && !stopIntegrator()){ |
| 214 | if ((info->getTime() + dt) >= currStatus){ | |
| 215 | calcPot = 1; | |
| 216 | calcStress = 1; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |