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root/group/trunk/OOPSE/libmdtools/ZConstraint.cpp
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Comparing trunk/OOPSE/libmdtools/ZConstraint.cpp (file contents):
Revision 738 by tim, Tue Sep 2 14:30:12 2003 UTC vs.
Revision 763 by tim, Mon Sep 15 16:52:02 2003 UTC

# Line 279 | Line 279 | template<typename T> ZConstraint<T>::ZConstraint(SimIn
279        zPos.push_back((*parameters)[searchResult].zPos);
280   //       cout << "index: "<< (*parameters)[searchResult].zconsIndex
281   //              <<"\tzPos = " << (*parameters)[searchResult].zPos << endl;
282 –      kz.push_back((*parameters)[searchResult]. kRatio * zForceConst);
282        
283 +      kz.push_back((*parameters)[searchResult]. kRatio * zForceConst);
284        molecules[i].getCOM(COM);
285      }
286      else
# Line 394 | Line 394 | template<typename T> void ZConstraint<T>::update()
394        zconsMols.push_back(&molecules[i]);      
395        zPos.push_back((*parameters)[index].zPos);
396        kz.push_back((*parameters)[index].kRatio * zForceConst);
397 –      
397        massOfZConsMols.push_back(molecules[i].getTotalMass());  
398        
399        molecules[i].getCOM(COM);
# Line 932 | Line 931 | template<typename T> void ZConstraint<T>::doHarmonic()
931    MPI_Allreduce(&totalFZ_local, &totalFZ, 1, MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);  
932   #endif
933  
934 <  cout << "before substracting harmonic force from moving molecuels "
935 <        << "total force is " << calcTotalForce()  << endl;
934 >  //cout << "before substracting harmonic force from moving molecuels "
935 >  //      << "total force is " << calcTotalForce()  << endl;
936  
937    force[0]= 0;
938    force[1]= 0;
# Line 951 | Line 950 | template<typename T> void ZConstraint<T>::doHarmonic()
950       }
951    }  
952  
953 <  cout << "after substracting harmonic force from moving molecuels "
954 <        << "total force is " << calcTotalForce()  << endl;
953 >  //cout << "after substracting harmonic force from moving molecuels "
954 >  //      << "total force is " << calcTotalForce()  << endl;
955  
956   }
957  

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