--- trunk/OOPSE/libmdtools/ZConstraint.cpp	2003/08/20 14:50:32	702
+++ trunk/OOPSE/libmdtools/ZConstraint.cpp	2003/08/26 20:12:51	723
@@ -276,8 +276,8 @@ template<typename T> ZConstraint<T>::ZConstraint(SimIn
       massOfZConsMols.push_back(molecules[i].getTotalMass());  
 
       zPos.push_back((*parameters)[searchResult].zPos);
-      cout << "index: "<< (*parameters)[searchResult].zconsIndex 
-             <<"\tzPos = " << (*parameters)[searchResult].zPos << endl; 
+//       cout << "index: "<< (*parameters)[searchResult].zconsIndex 
+//              <<"\tzPos = " << (*parameters)[searchResult].zPos << endl; 
       kz.push_back((*parameters)[searchResult]. kRatio * zForceConst);
       
       molecules[i].getCOM(COM);
@@ -509,6 +509,8 @@ template<typename T> void ZConstraint<T>::integrate(){
   //zero out the velocities of center of mass of unconstrained molecules 
   //and the velocities of center of mass of every single z-constrained molecueles
   zeroOutVel();
+
+  curZconsTime = zconsTime + info->getTime();
   
   T::integrate();
 
@@ -530,19 +532,44 @@ template<typename T> void ZConstraint<T>::calcForce(in
   T::calcForce(calcPot, calcStress);
 
   if (checkZConsState()){
+    
+#ifdef IS_MPI
+    if(worldRank == 0){
+#endif
+//       std::cerr << "\n"
+// 		<< "*******************************************\n"
+// 		<< " about to call zeroOutVel()\n"
+// 		<< "*******************************************\n"
+// 		<< "\n";
+#ifdef IS_MPI
+    }
+#endif
     zeroOutVel();
-   forcePolicy->update();
-  }  
 
+#ifdef IS_MPI
+    if(worldRank == 0){
+#endif
+//       std::cerr << "\n"
+// 		<< "*******************************************\n"
+// 		<< " finished zeroOutVel()\n"
+// 		<< "*******************************************\n"
+// 		<< "\n";
+#ifdef IS_MPI
+    }
+#endif
+    
+    forcePolicy->update();
+  }  
+  
   zsys = calcZSys();
   zSysCOMVel = calcSysCOMVel();
 #ifdef IS_MPI
   if(worldRank == 0){
 #endif
-    cout << "---------------------------------------------------------------------" <<endl;
-    cout << "current time: " << info->getTime() << endl;
-    cout << "center of mass at z: " << zsys << endl;     
-    cout << "before calcForce, the COMVel of system is " << zSysCOMVel <<endl;
+//     cout << "---------------------------------------------------------------------" <<endl;
+//     cout << "current time: " << info->getTime() << endl;
+//     cout << "center of mass at z: " << zsys << endl;     
+//     cout << "before calcForce, the COMVel of system is " << zSysCOMVel <<endl;
 
 #ifdef IS_MPI
   }
@@ -581,7 +608,7 @@ template<typename T> void ZConstraint<T>::calcForce(in
 #ifdef IS_MPI
   if(worldRank == 0){
 #endif
-    cout << "after calcForce, the COMVel of system is " << zSysCOMVel <<endl;
+ //    cout << "after calcForce, the COMVel of system is " << zSysCOMVel <<endl;
 #ifdef IS_MPI
   }
 #endif
@@ -681,7 +708,7 @@ template<typename T> void ZConstraint<T>::zeroOutVel()
 #ifdef IS_MPI
   if(worldRank == 0){
 #endif
-    cout << "before resetting the COMVel of sytem is " << zSysCOMVel << endl;  
+//     cout << "before resetting the COMVel of sytem is " << zSysCOMVel << endl;  
 #ifdef IS_MPI
   }
 #endif
@@ -755,7 +782,7 @@ template<typename T> void ZConstraint<T>::zeroOutVel()
 #ifdef IS_MPI
   if(worldRank == 0){
 #endif
-    cout << "after resetting the COMVel of moving molecules is " << zSysCOMVel << endl;  
+//     cout << "after resetting the COMVel of moving molecules is " << zSysCOMVel << endl;  
 #ifdef IS_MPI
   }
 #endif
@@ -798,9 +825,9 @@ template<typename T> void ZConstraint<T>::doZconstrain
       } 
       totalFZ_local += fz[i];
 
-      cout << "Fixed Molecule\tindex: " << indexOfZConsMols[i] 
-             <<"\tcurrent zpos: " << COM[whichDirection] 
-             << "\tcurrent fz: " <<fz[i] << endl;
+//       cout << "Fixed Molecule\tindex: " << indexOfZConsMols[i] 
+//              <<"\tcurrent zpos: " << COM[whichDirection] 
+//              << "\tcurrent fz: " <<fz[i] << endl;
 
     }
     
@@ -836,8 +863,8 @@ template<typename T> void ZConstraint<T>::doZconstrain
   
   } 
 
-  //cout << "after zero out z-constraint force on fixed z-constraint molecuels "
-  //       << "total force is " << calcTotalForce() << endl;
+//   cout << "after zero out z-constraint force on fixed z-constraint molecuels "
+//        << "total force is " << calcTotalForce() << endl;
 
   //calculate the number of atoms of moving z-constrained molecules
   int nMovingZAtoms_local;
@@ -915,7 +942,8 @@ template<typename T> void ZConstraint<T>::doHarmonic()
 
     if (states[i] == zcsMoving){
       zconsMols[i]->getCOM(COM);
-      cout << "Moving Molecule\tindex: " << indexOfZConsMols[i] <<"\tcurrent zpos: " << COM[whichDirection] << endl;
+//       cout << "Moving Molecule\tindex: " << indexOfZConsMols[i] 
+// 	   << "\tcurrent zpos: " << COM[whichDirection] << endl;
     
     diff = COM[whichDirection] -zPos[i];
     
@@ -995,8 +1023,8 @@ template<typename T> bool ZConstraint<T>::checkZConsSt
 #else
   MPI_Allreduce(&changed_local, &changed, 1, MPI_INT,MPI_SUM, MPI_COMM_WORLD);
 #endif
-
-  return changed > 0 ? true : false;
+  
+  return (changed > 0);
 }
 
 template<typename T> bool ZConstraint<T>::haveFixedZMols(){
@@ -1175,6 +1203,18 @@ template<typename T> void ZConstraint<T>::PolicyByNumb
   nMovingZAtoms = nMovingZAtoms_local;
 #endif
   totNumOfMovingAtoms = nMovingZAtoms + zconsIntegrator->totNumOfUnconsAtoms;
+
+#ifdef IS_MPI
+  if(worldRank == 0){
+#endif
+ //    std::cerr << "\n"
+// 	      << "*******************************************\n"
+// 	      << " fiished Policy by numbr()\n"
+// 	      << "*******************************************\n"
+// 	      << "\n";
+#ifdef IS_MPI
+  }
+#endif
 }
 
 template<typename T>double ZConstraint<T>::PolicyByNumber::getZFOfFixedZMols(Molecule* mol, Atom* atom, double totalForce){