--- trunk/OOPSE/libmdtools/Integrator.cpp	2003/10/29 17:55:28	841
+++ trunk/OOPSE/libmdtools/Integrator.cpp	2004/02/06 21:37:59	1035
@@ -7,6 +7,10 @@
 #include <unistd.h>
 #endif //is_mpi
 
+#ifdef PROFILE
+#include "mdProfile.hpp"
+#endif // profile
+
 #include "Integrator.hpp"
 #include "simError.h"
 
@@ -131,7 +135,7 @@ template<typename T> void Integrator<T>::checkConstrai
     }
 
 
-    // save oldAtoms to check for lode balanceing later on.
+    // save oldAtoms to check for lode balancing later on.
 
     oldAtoms = nAtoms;
 
@@ -174,20 +178,18 @@ template<typename T> void Integrator<T>::integrate(voi
 
   // initialize the forces before the first step
 
-  std::cerr << "Before initial Force calc\n";
-
   calcForce(1, 1);
 
+  //temp test
+  tStats->getPotential();
+  
   if (nConstrained){
     preMove();
     constrainA();
     calcForce(1, 1);
     constrainB();
-    std::cerr << "premove done\n";
   }
-
-
-
+  
   if (info->setTemp){
     thermalize();
   }
@@ -203,7 +205,6 @@ template<typename T> void Integrator<T>::integrate(voi
   statOut->writeStat(info->getTime());
 
 
-
 #ifdef IS_MPI
   strcpy(checkPointMsg, "The integrator is ready to go.");
   MPIcheckPoint();
@@ -215,8 +216,18 @@ template<typename T> void Integrator<T>::integrate(voi
       calcStress = 1;
     }
 
+#ifdef PROFILE
+    startProfile( pro1 );
+#endif
+    
     integrateStep(calcPot, calcStress);
 
+#ifdef PROFILE
+    endProfile( pro1 );
+
+    startProfile( pro2 );
+#endif // profile
+
     info->incrTime(dt);
 
     if (info->setTemp){
@@ -244,8 +255,10 @@ template<typename T> void Integrator<T>::integrate(voi
         currReset += resetTime;
       }
     }
-
-    std::cerr << "done with time = " << info->getTime() << "\n";
+    
+#ifdef PROFILE
+    endProfile( pro2 );
+#endif //profile
 
 #ifdef IS_MPI
     strcpy(checkPointMsg, "successfully took a time step.");
@@ -253,10 +266,6 @@ template<typename T> void Integrator<T>::integrate(voi
 #endif // is_mpi
   }
 
-
-  // write the last frame
-  dumpOut->writeDump(info->getTime());
-
   delete dumpOut;
   delete statOut;
 }
@@ -264,13 +273,28 @@ template<typename T> void Integrator<T>::integrateStep
 template<typename T> void Integrator<T>::integrateStep(int calcPot,
                                                        int calcStress){
   // Position full step, and velocity half step
+
+#ifdef PROFILE
+  startProfile(pro3);
+#endif //profile
+
   preMove();
 
-  moveA();
+#ifdef PROFILE
+  endProfile(pro3);
 
+  startProfile(pro4);
+#endif // profile
 
+  moveA();
 
+#ifdef PROFILE
+  endProfile(pro4);
+  
+  startProfile(pro5);
+#endif//profile
 
+
 #ifdef IS_MPI
   strcpy(checkPointMsg, "Succesful moveA\n");
   MPIcheckPoint();
@@ -286,12 +310,19 @@ template<typename T> void Integrator<T>::integrateStep
   MPIcheckPoint();
 #endif // is_mpi
 
+#ifdef PROFILE
+  endProfile( pro5 );
 
+  startProfile( pro6 );
+#endif //profile
+
   // finish the velocity  half step
 
   moveB();
 
-
+#ifdef PROFILE
+  endProfile(pro6);
+#endif // profile
 
 #ifdef IS_MPI
   strcpy(checkPointMsg, "Succesful moveB\n");