--- trunk/OOPSE/libmdtools/SimState.cpp	2003/10/28 16:03:37	829
+++ trunk/OOPSE/libmdtools/SimState.cpp	2004/05/07 21:35:05	1150
@@ -19,6 +19,8 @@ SimState::SimState(){
   Amat = NULL;
   mu   = NULL;
   ul   = NULL;
+  rc   = NULL;
+  massRatio = NULL;
 }
 
 
@@ -31,6 +33,8 @@ SimState::~SimState(){
   if(Amat != NULL) delete[] Amat;
   if(mu   != NULL) delete[] mu;
   if(ul   != NULL) delete[] ul;  
+  if(rc   != NULL) delete[] rc;  
+  if(massRatio != NULL) delete[] massRatio;  
 
 }
 
@@ -56,6 +60,8 @@ void SimState::createArrays (int the_nElements) {
   Amat = new double[nElements*9];
   mu   = new double[nElements];
   ul   = new double[nElements*3];
+  rc   = new double[nElements*3];
+  massRatio = new double[nElements];
   
   // init directional values to zero
   
@@ -98,6 +104,8 @@ void SimState::destroyArrays( void ){
   if(Amat != NULL) delete[] Amat;
   if(mu   != NULL) delete[] mu;
   if(ul   != NULL) delete[] ul;  
+  if(rc   != NULL) delete[] rc;
+  if(massRatio != NULL) delete[] massRatio;
 
   pos  = NULL;
   vel  = NULL;
@@ -106,6 +114,8 @@ void SimState::destroyArrays( void ){
   Amat = NULL;
   mu   = NULL;
   ul   = NULL;
+  rc   = NULL;
+  massRatio = NULL;
 
   arraysAllocated = false;
   nElements = 0;
@@ -118,7 +128,9 @@ void SimState::getAtomPointers( int index,
 				double** the_trq,
 				double** the_Amat,
 				double** the_mu, 
-				double** the_ul ){
+				double** the_ul, 
+				double** the_rc,
+				double** the_massRatio){
   int index3, index9;
 
   if( arraysAllocated ){
@@ -133,6 +145,8 @@ void SimState::getAtomPointers( int index,
     *the_Amat = &(Amat[index9]);
     *the_mu   = &(mu[index]); 
     *the_ul   = &(ul[index3]);
+    *the_rc   = &(rc[index3]);
+    *the_massRatio = &(massRatio[index]);
   }
   else{