--- trunk/OOPSE/libmdtools/Integrator.cpp	2003/08/26 20:29:26	725
+++ trunk/OOPSE/libmdtools/Integrator.cpp	2003/09/17 14:22:15	768
@@ -153,11 +153,14 @@ template<typename T> void Integrator<T>::integrate(voi
   double sampleTime = info->sampleTime;
   double statusTime = info->statusTime;
   double thermalTime = info->thermalTime;
+  double resetTime = info->resetTime;
 
+
   double currSample;
   double currThermal;
   double currStatus;
-
+  double currReset;
+  
   int calcPot, calcStress;
   int isError;
 
@@ -174,24 +177,17 @@ template<typename T> void Integrator<T>::integrate(voi
   // initialize the forces before the first step
 
   calcForce(1, 1);
-  // myFF->doForces(1,1);
-
+  
   if (info->setTemp){
     thermalize();
   }
 
-  calcPot = 0;
-  calcStress = 0;
-  currSample = sampleTime;
-  currThermal = thermalTime;
-  currStatus = statusTime;
-  
   calcPot     = 0;
   calcStress  = 0;
   currSample  = sampleTime + info->getTime();
   currThermal = thermalTime+ info->getTime();
   currStatus  = statusTime + info->getTime();
->>>>>>> 1.18
+  currReset   = resetTime  + info->getTime();
 
   dumpOut->writeDump(info->getTime());
   statOut->writeStat(info->getTime());
@@ -232,6 +228,13 @@ template<typename T> void Integrator<T>::integrate(voi
       currStatus += statusTime;
     } 
 
+    if (info->resetIntegrator){
+      if (info->getTime() >= currReset){
+        this->resetIntegrator();
+        currReset += resetTime;
+      }
+    }
+
 #ifdef IS_MPI
     strcpy(checkPointMsg, "successfully took a time step.");
     MPIcheckPoint();
@@ -251,11 +254,9 @@ template<typename T> void Integrator<T>::integrateStep
 
   moveA();
 
-  if (nConstrained){
-    constrainA();
-  }
 
 
+
 #ifdef IS_MPI
   strcpy(checkPointMsg, "Succesful moveA\n");
   MPIcheckPoint();
@@ -276,10 +277,8 @@ template<typename T> void Integrator<T>::integrateStep
 
   moveB();
 
-  if (nConstrained){
-    constrainB();
-  }
 
+
 #ifdef IS_MPI
   strcpy(checkPointMsg, "Succesful moveB\n");
   MPIcheckPoint();
@@ -354,10 +353,13 @@ template<typename T> void Integrator<T>::moveA(void){
       angle = dt2 * ji[0] / I[0][0];
       this->rotate(1, 2, angle, ji, A);
 
-
       dAtom->setJ(ji);
       dAtom->setA(A);
     }
+  }
+
+  if (nConstrained){
+    constrainA();
   }
 }
 
@@ -399,6 +401,10 @@ template<typename T> void Integrator<T>::moveB(void){
 
       dAtom->setJ(ji);
     }
+  }
+
+  if (nConstrained){
+    constrainB();
   }
 }
 
@@ -558,6 +564,7 @@ template<typename T> void Integrator<T>::constrainA(){
     painCave.isFatal = 1;
     simError();
   }
+
 }
 
 template<typename T> void Integrator<T>::constrainB(void){
@@ -751,3 +758,7 @@ template<typename T> void Integrator<T>::thermalize(){
 template<typename T> void Integrator<T>::thermalize(){
   tStats->velocitize();
 }
+
+template<typename T> double Integrator<T>::getConservedQuantity(void){
+  return tStats->getTotalE();
+}