ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/ZConstraint.cpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/ZConstraint.cpp (file contents):
Revision 722 by mmeineke, Fri Aug 22 20:04:39 2003 UTC vs.
Revision 723 by mmeineke, Tue Aug 26 20:12:51 2003 UTC

# Line 276 | Line 276 | template<typename T> ZConstraint<T>::ZConstraint(SimIn
276        massOfZConsMols.push_back(molecules[i].getTotalMass());  
277  
278        zPos.push_back((*parameters)[searchResult].zPos);
279 <      cout << "index: "<< (*parameters)[searchResult].zconsIndex
280 <             <<"\tzPos = " << (*parameters)[searchResult].zPos << endl;
279 > //       cout << "index: "<< (*parameters)[searchResult].zconsIndex
280 > //              <<"\tzPos = " << (*parameters)[searchResult].zPos << endl;
281        kz.push_back((*parameters)[searchResult]. kRatio * zForceConst);
282        
283        molecules[i].getCOM(COM);
# Line 536 | Line 536 | template<typename T> void ZConstraint<T>::calcForce(in
536   #ifdef IS_MPI
537      if(worldRank == 0){
538   #endif
539 <      std::cerr << "\n"
540 <                << "*******************************************\n"
541 <                << " about to call zeroOutVel()\n"
542 <                << "*******************************************\n"
543 <                << "\n";
539 > //       std::cerr << "\n"
540 > //              << "*******************************************\n"
541 > //              << " about to call zeroOutVel()\n"
542 > //              << "*******************************************\n"
543 > //              << "\n";
544   #ifdef IS_MPI
545      }
546   #endif
# Line 549 | Line 549 | template<typename T> void ZConstraint<T>::calcForce(in
549   #ifdef IS_MPI
550      if(worldRank == 0){
551   #endif
552 <      std::cerr << "\n"
553 <                << "*******************************************\n"
554 <                << " finished zeroOutVel()\n"
555 <                << "*******************************************\n"
556 <                << "\n";
552 > //       std::cerr << "\n"
553 > //              << "*******************************************\n"
554 > //              << " finished zeroOutVel()\n"
555 > //              << "*******************************************\n"
556 > //              << "\n";
557   #ifdef IS_MPI
558      }
559   #endif
# Line 566 | Line 566 | template<typename T> void ZConstraint<T>::calcForce(in
566   #ifdef IS_MPI
567    if(worldRank == 0){
568   #endif
569 <    cout << "---------------------------------------------------------------------" <<endl;
570 <    cout << "current time: " << info->getTime() << endl;
571 <    cout << "center of mass at z: " << zsys << endl;    
572 <    cout << "before calcForce, the COMVel of system is " << zSysCOMVel <<endl;
569 > //     cout << "---------------------------------------------------------------------" <<endl;
570 > //     cout << "current time: " << info->getTime() << endl;
571 > //     cout << "center of mass at z: " << zsys << endl;    
572 > //     cout << "before calcForce, the COMVel of system is " << zSysCOMVel <<endl;
573  
574   #ifdef IS_MPI
575    }
# Line 608 | Line 608 | template<typename T> void ZConstraint<T>::calcForce(in
608   #ifdef IS_MPI
609    if(worldRank == 0){
610   #endif
611 <    cout << "after calcForce, the COMVel of system is " << zSysCOMVel <<endl;
611 > //    cout << "after calcForce, the COMVel of system is " << zSysCOMVel <<endl;
612   #ifdef IS_MPI
613    }
614   #endif
# Line 708 | Line 708 | template<typename T> void ZConstraint<T>::zeroOutVel()
708   #ifdef IS_MPI
709    if(worldRank == 0){
710   #endif
711 <    cout << "before resetting the COMVel of sytem is " << zSysCOMVel << endl;  
711 > //     cout << "before resetting the COMVel of sytem is " << zSysCOMVel << endl;  
712   #ifdef IS_MPI
713    }
714   #endif
# Line 782 | Line 782 | template<typename T> void ZConstraint<T>::zeroOutVel()
782   #ifdef IS_MPI
783    if(worldRank == 0){
784   #endif
785 <    cout << "after resetting the COMVel of moving molecules is " << zSysCOMVel << endl;  
785 > //     cout << "after resetting the COMVel of moving molecules is " << zSysCOMVel << endl;  
786   #ifdef IS_MPI
787    }
788   #endif
# Line 942 | Line 942 | template<typename T> void ZConstraint<T>::doHarmonic()
942  
943      if (states[i] == zcsMoving){
944        zconsMols[i]->getCOM(COM);
945 <      cout << "Moving Molecule\tindex: " << indexOfZConsMols[i]
946 <           << "\tcurrent zpos: " << COM[whichDirection] << endl;
945 > //       cout << "Moving Molecule\tindex: " << indexOfZConsMols[i]
946 > //         << "\tcurrent zpos: " << COM[whichDirection] << endl;
947      
948      diff = COM[whichDirection] -zPos[i];
949      
# Line 1207 | Line 1207 | template<typename T> void ZConstraint<T>::PolicyByNumb
1207   #ifdef IS_MPI
1208    if(worldRank == 0){
1209   #endif
1210 <    std::cerr << "\n"
1211 <              << "*******************************************\n"
1212 <              << " fiished Policy by numbr()\n"
1213 <              << "*******************************************\n"
1214 <              << "\n";
1210 > //    std::cerr << "\n"
1211 > //            << "*******************************************\n"
1212 > //            << " fiished Policy by numbr()\n"
1213 > //            << "*******************************************\n"
1214 > //            << "\n";
1215   #ifdef IS_MPI
1216    }
1217   #endif

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines