# | Line 174 | Line 174 | template<typename T> void Integrator<T>::integrate(voi | |
---|---|---|
174 | // initialize the forces before the first step | |
175 | ||
176 | calcForce(1, 1); | |
177 | < | // myFF->doForces(1,1); |
178 | < | |
177 | > | |
178 | if (info->setTemp){ | |
179 | thermalize(); | |
180 | } | |
# | Line 191 | Line 190 | template<typename T> void Integrator<T>::integrate(voi | |
190 | currSample = sampleTime + info->getTime(); | |
191 | currThermal = thermalTime+ info->getTime(); | |
192 | currStatus = statusTime + info->getTime(); | |
194 | – | >>>>>>> 1.18 |
193 | ||
194 | dumpOut->writeDump(info->getTime()); | |
195 | statOut->writeStat(info->getTime()); |
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+ | Added lines |
< | Changed lines |
> | Changed lines |