--- trunk/OOPSE/libmdtools/SimInfo.cpp	2004/04/12 20:32:20	1097
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2004/04/22 21:33:55	1131
@@ -322,10 +322,16 @@ int SimInfo::getNDF(){
 int SimInfo::getNDF(){
   int ndf_local;
 
+  ndf_local = 0;
+  
   for(int i = 0; i < integrableObjects.size(); i++){
     ndf_local += 3;
-    if (integrableObjects[i]->isDirectional())
-      ndf_local += 3;
+    if (integrableObjects[i]->isDirectional()) {
+      if (integrableObjects[i]->isLinear())
+        ndf_local += 2;
+      else
+        ndf_local += 3;
+    }
   }
 
   // n_constraints is local, so subtract them on each processor:
@@ -350,11 +356,16 @@ int SimInfo::getNDFraw() {
   int ndfRaw_local;
 
   // Raw degrees of freedom that we have to set
+  ndfRaw_local = 0;
 
   for(int i = 0; i < integrableObjects.size(); i++){
     ndfRaw_local += 3;
-    if (integrableObjects[i]->isDirectional())
-      ndfRaw_local += 3;
+    if (integrableObjects[i]->isDirectional()) {
+       if (integrableObjects[i]->isLinear())
+        ndfRaw_local += 2;
+      else
+        ndfRaw_local += 3;
+    }
   }
     
 #ifdef IS_MPI
@@ -381,6 +392,23 @@ int SimInfo::getNDFtranslational() {
   ndfTrans = ndfTrans - 3 - nZconstraints;
 
   return ndfTrans;
+}
+
+int SimInfo::getTotIntegrableObjects() {
+  int nObjs_local;
+  int nObjs;
+
+  nObjs_local =  integrableObjects.size();
+
+
+#ifdef IS_MPI
+  MPI_Allreduce(&nObjs_local,&nObjs,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
+#else
+  nObjs = nObjs_local;
+#endif
+
+
+  return nObjs;
 }
 
 void SimInfo::refreshSim(){
@@ -482,11 +510,11 @@ void SimInfo::checkCutOffs( void ){
                "\tCurrent Value of LJrcut = %G at time %G\n "
                "\tThis is larger than half of at least one of the\n"
                "\tperiodic box vectors.  Right now, the Box matrix is:\n"
-               "\n, %G"
+	       "\n"
 	       "\t[ %G %G %G ]\n"
 	       "\t[ %G %G %G ]\n"
 	       "\t[ %G %G %G ]\n",
-	       rCut, currentTime, maxCutoff,
+	       rCut, currentTime,
 	       Hmat[0][0], Hmat[0][1], Hmat[0][2],
 	       Hmat[1][0], Hmat[1][1], Hmat[1][2],
 	       Hmat[2][0], Hmat[2][1], Hmat[2][2]);
@@ -561,13 +589,3 @@ GenericData* SimInfo::getProperty(const string& propNa
     return NULL;  
 }
 
-vector<GenericData*> SimInfo::getProperties(){
-
-  vector<GenericData*> result;
-  map<string, GenericData*>::iterator i;
-  
-  for(i = properties.begin(); i != properties.end(); i++)
-    result.push_back((*i).second);
-    
-  return result;
-}