--- trunk/OOPSE/libmdtools/ZConstraint.cpp	2003/08/20 14:34:04	701
+++ trunk/OOPSE/libmdtools/ZConstraint.cpp	2003/08/22 20:04:39	711
@@ -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();
 
@@ -525,21 +527,53 @@ template<typename T> void ZConstraint<T>::calcForce(in
   double zsys;
   double COM[3];
   double force[3];
+  double zSysCOMVel;
 
   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();
-  cout << "---------------------------------------------------------------------" <<endl;
-  cout << "current time: " << info->getTime() << endl;
-  cout << "center of mass at z: " << zsys << endl;     
-  //cout << "before calcForce, the COMVel of moving molecules is " << calcMovingMolsCOMVel() <<endl;
-  cout << "before calcForce, the COMVel of system is " << calcSysCOMVel() <<endl;
+  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 <<  "before doZConstraintForce, totalForce is " << calcTotalForce() << endl;
+#ifdef IS_MPI
+  }
+#endif
 
   //do zconstraint force; 
   if (haveFixedZMols())
@@ -549,8 +583,6 @@ template<typename T> void ZConstraint<T>::calcForce(in
   if (haveMovingZMols())
     this->doHarmonic();
 
-  //cout <<  "after doHarmonic, totalForce is " << calcTotalForce() << endl;
-
   //write out forces and current positions of z-constraint molecules
   if(info->getTime() >= curZconsTime){    
    for(int i = 0; i < zconsMols.size(); i++){
@@ -571,9 +603,16 @@ template<typename T> void ZConstraint<T>::calcForce(in
     fzOut->writeFZ(info->getTime(), zconsMols.size(), indexOfZConsMols, fz, curZPos);
    curZconsTime += zconsTime;
   }
-  
-  //cout << "after calcForce, the COMVel of moving molecules is " << calcMovingMolsCOMVel() <<endl; 
-  cout << "after calcForce, the COMVel of system is " << calcSysCOMVel() <<endl; 
+
+  zSysCOMVel = calcSysCOMVel();  
+#ifdef IS_MPI
+  if(worldRank == 0){
+#endif
+    cout << "after calcForce, the COMVel of system is " << zSysCOMVel <<endl;
+#ifdef IS_MPI
+  }
+#endif
+
 }
 
 
@@ -786,9 +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;
 
     }
     
@@ -824,8 +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;
@@ -903,7 +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];
     
@@ -983,8 +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(){
@@ -1163,6 +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){