--- trunk/OOPSE/libmdtools/DUFF.cpp	2003/08/12 21:44:06	690
+++ trunk/OOPSE/libmdtools/DUFF.cpp	2003/10/28 16:03:37	829
@@ -1,6 +1,6 @@
-#include <cstdlib>
-#include <cstdio>
-#include <cstring>
+#include <stdlib.h>
+#include <stdio.h>
+#include <string.h>
 
 #include <iostream>
 using namespace std;
@@ -454,7 +454,6 @@ DUFF::DUFF(){
   char* ffPath_env = "FORCE_PARAM_PATH";
   char* ffPath;
   char temp[200];
-  char errMsg[1000];
 
   headAtomType       = NULL; 
   currentAtomType    = NULL;
@@ -476,7 +475,7 @@ DUFF::DUFF(){
   // Init the atomStruct mpi type
 
   atomStruct atomProto; // mpiPrototype
-  int atomBC[3] = {15,6,4};  // block counts
+  int atomBC[3] = {15,11,4};  // block counts
   MPI_Aint atomDspls[3];           // displacements
   MPI_Datatype atomMbrTypes[3];    // member mpi types
 
@@ -658,12 +657,7 @@ void DUFF::readParams( void ){
 
 void DUFF::readParams( void ){
 
-  int i, a, b, c, d;
   int identNum;
-  char* atomA;
-  char* atomB;
-  char* atomC;
-  char* atomD;
   
   atomStruct atomInfo;
   bondStruct bondInfo;
@@ -785,9 +779,7 @@ void DUFF::readParams( void ){
   int isGB = 0;
   int isLJ = 1;
   int isEAM =0;
-  double GB_dummy = 0.0;
-  
-  
+    
   currentAtomType = headAtomType->next;;
   while( currentAtomType != NULL ){
     
@@ -1310,7 +1302,8 @@ void DUFF::initializeBends( int nBends, Bend** bendArr
 	}
 	
 	gBend = new GhostBend( *the_atoms[a], 
-			       *the_atoms[b] );			       
+			       *the_atoms[b]);
+			       			      		       
 	gBend->setConstants( currentBendType->k1,
 			     currentBendType->k2,
 			     currentBendType->k3,
@@ -1326,7 +1319,7 @@ void DUFF::initializeBends( int nBends, Bend** bendArr
 			     currentBendType->k3,
 			     currentBendType->t0 );
 	bendArray[i] = qBend;
-      }
+      }      
     }
   }
 }
@@ -1638,7 +1631,7 @@ int DUFF_NS::parseBond( char *lineBuffer, int lineNum,
     else{
       sprintf( painCave.errMsg, 
 	       "Unknown DUFF bond type \"%s\" at line %d\n",
-	       info.type,
+	       bondType,
 	       lineNum );
       painCave.isFatal = 1;
       simError();