--- trunk/OOPSE/libmdtools/Integrator.cpp	2004/04/12 20:32:20	1097
+++ trunk/OOPSE/libmdtools/Integrator.cpp	2004/05/01 18:52:38	1144
@@ -179,12 +179,13 @@ template<typename T> void Integrator<T>::integrate(voi
 
   readyCheck();
 
+  // remove center of mass drift velocity (in case we passed in a configuration
+  // that was drifting
+  tStats->removeCOMdrift();
+
   // initialize the forces before the first step
 
   calcForce(1, 1);
-
-  //temp test
-  tStats->getPotential();
   
   if (nConstrained){
     preMove();
@@ -213,7 +214,7 @@ template<typename T> void Integrator<T>::integrate(voi
   MPIcheckPoint();
 #endif // is_mpi
 
-  while (info->getTime() < runTime){
+  while (info->getTime() < runTime && !stopIntegrator()){
     if ((info->getTime() + dt) >= currStatus){
       calcPot = 1;
       calcStress = 1;
@@ -345,6 +346,8 @@ template<typename T> void Integrator<T>::moveA(void){
     integrableObjects[i]->getVel(vel);
     integrableObjects[i]->getPos(pos);
     integrableObjects[i]->getFrc(frc);
+
+    std::cerr << "i =\t" << i << "\t" << frc[0] << "\t" << frc[1]<< "\t" << frc[2] << "\n";
     
     mass = integrableObjects[i]->getMass();
 
@@ -690,6 +693,7 @@ template<typename T> void Integrator<T>::rotationPropa
 
   double angle;
   double A[3][3], I[3][3];
+  int i, j, k;
 
   // use the angular velocities to propagate the rotation matrix a
   // full time step
@@ -697,26 +701,42 @@ template<typename T> void Integrator<T>::rotationPropa
   sd->getA(A);
   sd->getI(I);
 
-  // rotate about the x-axis
-  angle = dt2 * ji[0] / I[0][0];
-  this->rotate( 1, 2, angle, ji, A );
+  if (sd->isLinear()) {
+    i = sd->linearAxis();
+    j = (i+1)%3;
+    k = (i+2)%3;
+    
+    angle = dt2 * ji[j] / I[j][j];
+    this->rotate( k, i, angle, ji, A );
 
-  // rotate about the y-axis
-  angle = dt2 * ji[1] / I[1][1];
-  this->rotate( 2, 0, angle, ji, A );
+    angle = dt * ji[k] / I[k][k];
+    this->rotate( i, j, angle, ji, A);
 
-  // rotate about the z-axis
-  angle = dt * ji[2] / I[2][2];
-  this->rotate( 0, 1, angle, ji, A);
+    angle = dt2 * ji[j] / I[j][j];
+    this->rotate( k, i, angle, ji, A );
 
-  // rotate about the y-axis
-  angle = dt2 * ji[1] / I[1][1];
-  this->rotate( 2, 0, angle, ji, A );
-
-  // rotate about the x-axis
-  angle = dt2 * ji[0] / I[0][0];
-  this->rotate( 1, 2, angle, ji, A );
-
+  } else {
+    // rotate about the x-axis
+    angle = dt2 * ji[0] / I[0][0];
+    this->rotate( 1, 2, angle, ji, A );
+    
+    // rotate about the y-axis
+    angle = dt2 * ji[1] / I[1][1];
+    this->rotate( 2, 0, angle, ji, A );
+    
+    // rotate about the z-axis
+    angle = dt * ji[2] / I[2][2];
+    this->rotate( 0, 1, angle, ji, A);
+    
+    // rotate about the y-axis
+    angle = dt2 * ji[1] / I[1][1];
+    this->rotate( 2, 0, angle, ji, A );
+    
+    // rotate about the x-axis
+    angle = dt2 * ji[0] / I[0][0];
+    this->rotate( 1, 2, angle, ji, A );
+    
+  }
   sd->setA( A  );
 }