# | 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 |
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