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root/group/trunk/OOPSE/libmdtools/Integrator.cpp
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Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 1144 by tim, Sat May 1 18:52:38 2004 UTC vs.
Revision 1178 by gezelter, Thu May 13 21:08:05 2004 UTC

# Line 160 | Line 160 | template<typename T> void Integrator<T>::integrate(voi
160    double thermalTime = info->thermalTime;
161    double resetTime = info->resetTime;
162  
163 <
163 >  double difference;
164    double currSample;
165    double currThermal;
166    double currStatus;
# Line 215 | Line 215 | template<typename T> void Integrator<T>::integrate(voi
215   #endif // is_mpi
216  
217    while (info->getTime() < runTime && !stopIntegrator()){
218 <    if ((info->getTime() + dt) >= currStatus){
218 >    difference = info->getTime() + dt - currStatus;
219 >    if (difference > 0 || fabs(difference) < 1e-4 ){
220        calcPot = 1;
221        calcStress = 1;
222      }
# Line 346 | Line 347 | template<typename T> void Integrator<T>::moveA(void){
347      integrableObjects[i]->getVel(vel);
348      integrableObjects[i]->getPos(pos);
349      integrableObjects[i]->getFrc(frc);
349 –
350 –    std::cerr << "i =\t" << i << "\t" << frc[0] << "\t" << frc[1]<< "\t" << frc[2] << "\n";
350      
351      mass = integrableObjects[i]->getMass();
352  

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