--- trunk/OOPSE/libmdtools/DumpWriter.cpp	2004/01/16 21:51:51	951
+++ trunk/OOPSE/libmdtools/DumpWriter.cpp	2004/04/12 20:32:20	1097
@@ -1,3 +1,4 @@
+#define _LARGEFILE_SOURCE64
 #define _FILE_OFFSET_BITS 64
 
 #include <string.h>
@@ -95,11 +96,6 @@ void DumpWriter::sortByGlobalIndex(){
     indexArray.push_back(make_pair(i, atoms[i]->getGlobalIndex()));
   
   sort(indexArray.begin(), indexArray.end(), indexSortingCriterion);	
-
-  //for (int i = 0; i < mpiSim->getMyNlocal(); i++) {
-  //  printf("node %d has global %d at local %d\n", worldRank, indexArray[i].second, indexArray[i].first);
-  //}
-    
 }
 
 #endif
@@ -110,10 +106,8 @@ void DumpWriter::writeDump(double currentTime){
   vector<ofstream*> fileStreams;
 
 #ifdef IS_MPI
-  printf("Hello from node %d\n", worldRank);
-  sortByGlobalIndex();
   if(worldRank == 0 ){
-    
+#endif    
     finalOut.open( entry_plug->finalName, ios::out | ios::trunc );
     if( !finalOut ){
       sprintf( painCave.errMsg,
@@ -122,6 +116,7 @@ void DumpWriter::writeDump(double currentTime){
       painCave.isFatal = 1;
       simError();
     }
+#ifdef IS_MPI
   }
 #endif // is_mpi
 
@@ -232,7 +227,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
   int nAtoms = entry_plug->n_atoms;
 #endif //is_mpi
 
-  double q[4];
+  double q[4], ji[3];
   DirectionalAtom* dAtom;
   Atom** atoms = entry_plug->atoms;
   double pos[3], vel[3];
@@ -279,6 +274,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
 
       dAtom = (DirectionalAtom *)atoms[i];
       dAtom->getQ( q );
+      dAtom->getJ( ji );
 
       sprintf( tempBuffer,
 	       "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
@@ -286,9 +282,9 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
 	       q[1],
 	       q[2],
 	       q[3],
-	       dAtom->getJx(),
-	       dAtom->getJy(),
-	       dAtom->getJz());
+               ji[0],
+               ji[1],
+               ji[2]);
       strcat( writeLine, tempBuffer );
     }
     else
@@ -395,15 +391,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
         
        	haveError = 0;
 	which_atom = i;
-        
-	//local_index = -1;
-
-        //for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) {
-        //  if (atoms[j]->getGlobalIndex() == which_atom) local_index = j;
-        //}
         
-        //if (local_index != -1) {
-	  
 	  local_index = indexArray[currentIndex].first;        
           
 	  if (which_atom == indexArray[currentIndex].second) {
@@ -429,6 +417,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
             
             dAtom = (DirectionalAtom *)atoms[local_index];
             dAtom->getQ( q );
+            dAtom->getJ( ji );
 
             for (int j = 0; j < 6 ; j++)
               atomData13[j] = atomData6[j];            
@@ -438,9 +427,9 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
             atomData13[8] = q[2];
             atomData13[9] = q[3];
             
-            atomData13[10] = dAtom->getJx();
-            atomData13[11] = dAtom->getJy();
-            atomData13[12] = dAtom->getJz();
+            atomData13[10] = ji[0];
+            atomData13[11] = ji[1];
+            atomData13[12] = ji[2];
           }
           
         } else {
@@ -532,14 +521,6 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
         }
         which_atom = i; 
 
-	//local_index = -1;
-
-        //for (j=0; (j<mpiSim->getMyNlocal()) && (local_index < 0); j++) {
-        // if (atoms[j]->getGlobalIndex() == which_atom) local_index = j;
-        //}
-        
-        //if (local_index != -1) {
-
 	local_index = indexArray[currentIndex].first;        
                 
 	if (which_atom == indexArray[currentIndex].second) {
@@ -565,6 +546,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
             
             dAtom = (DirectionalAtom *)atoms[local_index];
             dAtom->getQ( q );
+            dAtom->getJ( ji );
             
             for (int j = 0; j < 6 ; j++)
               atomData13[j] = atomData6[j];
@@ -574,9 +556,9 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
             atomData13[8] = q[2];
             atomData13[9] = q[3];
   
-            atomData13[10] = dAtom->getJx();
-            atomData13[11] = dAtom->getJy();
-            atomData13[12] = dAtom->getJz();
+            atomData13[10] = ji[0];
+            atomData13[11] = ji[1];
+            atomData13[12] = ji[2];
           }
 
         } else {