| # | Line 26 | Line 26 | Integrator::Integrator( SimInfo *theInfo, ForceFields* | |
|---|---|---|
| 26 | info->the_integrator = this; | |
| 27 | ||
| 28 | nAtoms = info->n_atoms; | |
| 29 | – | |
| 30 | – | std::cerr << "integ nAtoms = " << nAtoms << "\n"; |
| 29 | ||
| 30 | // check for constraints | |
| 31 | ||
| # | Line 224 | Line 222 | void Integrator::integrate( void ){ | |
| 222 | calcPot = 1; | |
| 223 | calcStress = 1; | |
| 224 | } | |
| 227 | – | |
| 228 | – | std::cerr << currTime << "\n"; |
| 225 | ||
| 226 | integrateStep( calcPot, calcStress ); | |
| 227 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |