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root/group/trunk/OOPSE/libmdtools/Integrator.cpp
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Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 1207 by chrisfen, Thu May 27 20:06:38 2004 UTC vs.
Revision 1212 by chrisfen, Tue Jun 1 17:15:43 2004 UTC

# Line 185 | Line 185 | template<typename T> void Integrator<T>::integrate(voi
185    tStats->removeCOMdrift();
186  
187    // initialize the retraints if necessary
188 <  if (info->useThermInt) {
188 >  if (info->useSolidThermInt && !info->useLiquidThermInt) {
189      myFF->initRestraints();
190    }
191  
# Line 255 | Line 255 | template<typename T> void Integrator<T>::integrate(voi
255  
256      if (info->getTime() >= currStatus){
257        statOut->writeStat(info->getTime());
258 <      if (info->useThermInt)
258 >      if (info->useSolidThermInt || info->useLiquidThermInt)
259          statOut->writeRaw(info->getTime());
260        calcPot = 0;
261        calcStress = 0;
# Line 280 | Line 280 | template<typename T> void Integrator<T>::integrate(voi
280    }
281  
282    // dump out a file containing the omega values for the final configuration
283 <  if (info->useThermInt)
283 >  if (info->useSolidThermInt && !info->useLiquidThermInt)
284      myFF->dumpzAngle();
285    
286  

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