--- trunk/OOPSE/libmdtools/DumpWriter.cpp	2004/05/27 00:48:12	1198
+++ trunk/OOPSE/libmdtools/DumpWriter.cpp	2004/06/07 14:26:33	1252
@@ -170,7 +170,8 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
   char tempBuffer[BUFFERSIZE];  
   char writeLine[BUFFERSIZE];
 
-  int i, k;
+  int i;
+  unsigned int k;
 
 #ifdef IS_MPI
   
@@ -294,11 +295,11 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
       }
       else
         strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
+    
+      for(k = 0; k < outFile.size(); k++)
+        *outFile[k] << writeLine;      
     }
 
-    
-    for(k = 0; k < outFile.size(); k++)
-      *outFile[k] << writeLine;
 }
 
 #else // is_mpi
@@ -325,7 +326,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
 
     // Node 0 needs a list of the magic potatoes for each processor;
 
-    nProc = mpiSim->getNprocessors();
+    nProc = mpiSim->getNProcessors();
     potatoes = new int[nProc];
 
     //write out the comment lines
@@ -353,7 +354,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
 
     currentIndex = 0;
 
-    for (i = 0 ; i < mpiSim->getTotNmol(); i++ ) {
+    for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) {
       
       // Get the Node number which has this atom;
       
@@ -404,11 +405,53 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
             isDirectional = 1;
           else
             isDirectional = 0;
+          
+          // If we've survived to here, format the line:
             
-        }
+          if (!isDirectional) {
+    	
+            sprintf( writeLine,
+    		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
+    		 atomTypeString,
+    		 atomData[0],
+    		 atomData[1],
+    		 atomData[2],
+    		 atomData[3],
+    		 atomData[4],
+    		 atomData[5]);
+    	
+           strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
+    	
+          } 
+          else {
+    	
+          	sprintf( writeLine,
+          		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
+          		 atomTypeString,
+          		 atomData[0],
+          		 atomData[1],
+          		 atomData[2],
+          		 atomData[3],
+          		 atomData[4],
+          		 atomData[5],
+          		 atomData[6],
+          		 atomData[7],
+          		 atomData[8],
+          		 atomData[9],
+          		 atomData[10],
+          		 atomData[11],
+          		 atomData[12]);
+            
+          }
+          
+          for(k = 0; k < outFile.size(); k++)
+            *outFile[k] << writeLine;            
+
+        }// end for(int l =0)
         potatoes[which_node] = myPotato;
 
-      } else {
+      }
+      else {
         
        	haveError = 0;
         
@@ -453,50 +496,54 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
               atomData[12] = ji[2];
             }
             
-        }
+            // If we've survived to here, format the line:
+            
+            if (!isDirectional) {
+      	
+              sprintf( writeLine,
+      		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
+      		 atomTypeString,
+      		 atomData[0],
+      		 atomData[1],
+      		 atomData[2],
+      		 atomData[3],
+      		 atomData[4],
+      		 atomData[5]);
+      	
+             strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
+      	
+            } 
+            else {
+      	
+            	sprintf( writeLine,
+            		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
+            		 atomTypeString,
+            		 atomData[0],
+            		 atomData[1],
+            		 atomData[2],
+            		 atomData[3],
+            		 atomData[4],
+            		 atomData[5],
+            		 atomData[6],
+            		 atomData[7],
+            		 atomData[8],
+            		 atomData[9],
+            		 atomData[10],
+            		 atomData[11],
+            		 atomData[12]);
+              
+            }
+            
+            for(k = 0; k < outFile.size(); k++)
+              *outFile[k] << writeLine;
+            
+            
+        }//end for(iter = integrableObject.begin())
         
       currentIndex++;
       }
-      // If we've survived to here, format the line:
-      
-      if (!isDirectional) {
-	
-        sprintf( writeLine,
-		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
-		 atomTypeString,
-		 atomData[0],
-		 atomData[1],
-		 atomData[2],
-		 atomData[3],
-		 atomData[4],
-		 atomData[5]);
-	
-	strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
-	
-      } else {
-	
-	sprintf( writeLine,
-		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
-		 atomTypeString,
-		 atomData[0],
-		 atomData[1],
-		 atomData[2],
-		 atomData[3],
-		 atomData[4],
-		 atomData[5],
-		 atomData[6],
-		 atomData[7],
-		 atomData[8],
-		 atomData[9],
-		 atomData[10],
-		 atomData[11],
-		 atomData[12]);
-        
-      }
-      
-      for(k = 0; k < outFile.size(); k++)
-        *outFile[k] << writeLine;
-    }
+
+    }//end for(i = 0; i < mpiSim->getNmol())
     
     for(k = 0; k < outFile.size(); k++)
       outFile[k]->flush();
@@ -517,7 +564,7 @@ void DumpWriter::writeFrame( vector<ofstream*>& outFil
     myPotato = 0;
     currentIndex = 0;
     
-    for (i = 0 ; i < mpiSim->getTotNmol(); i++ ) {
+    for (i = 0 ; i < mpiSim->getNMolGlobal(); i++ ) {
       
       // Am I the node which has this integrableObject?