--- trunk/mdtools/interface_implementation/LJ_FF.cpp	2003/01/30 15:20:21	253
+++ trunk/mdtools/interface_implementation/LJ_FF.cpp	2003/02/04 20:15:48	263
@@ -9,7 +9,6 @@ using namespace std;
 #include "SRI.hpp"
 #include "simError.h"
 
-
 // Declare the structures that will be passed by the parser and  MPI
 
 typedef struct{
@@ -25,7 +24,6 @@ int parseAtomLJ( char *lineBuffer, int lineNum, atomSt
 int parseAtomLJ( char *lineBuffer, int lineNum, atomStruct &info );
 
 #ifdef IS_MPI
-
 #include "mpiForceField.h"
 
 MPI_Datatype mpiAtomStructType;
@@ -72,6 +70,7 @@ LJ_FF* currentLJwrap;
 //****************************************************************
 // begins the actual forcefield stuff.	
 //****************************************************************
+
 
 LJ_FF::LJ_FF(){
 
@@ -351,10 +350,19 @@ void LJ_FF::initializeAtoms( void ){
 	     "LJ_FF atom structures read successfully." );
     MPIcheckPoint();
 
-    currentAtomType = headAtomType;
+    currentAtomType = headAtomType->next; //skip the first element who is a place holder.
     while( currentAtomType != NULL ){
       currentAtomType->duplicate( info );
+
+ 
+
       sendFrcStruct( &info, mpiAtomStructType );
+
+      sprintf( checkPointMsg,
+	       "successfully sent lJ force type: \"%s\"\n",
+	       info.name );
+      MPIcheckPoint();
+
       currentAtomType = currentAtomType->next;
     }
     info.last = 1;
@@ -370,9 +378,15 @@ void LJ_FF::initializeAtoms( void ){
 
     headAtomType = new LinkedType;
     recieveFrcStruct( &info, mpiAtomStructType );
+    
     while( !info.last ){
 
+
+
       headAtomType->add( info );
+      
+      MPIcheckPoint();
+
       recieveFrcStruct( &info, mpiAtomStructType );
     }
   }
@@ -438,7 +452,7 @@ void LJ_FF::initializeAtoms( void ){
   
 #ifdef IS_MPI
   double tempBig = bigSigma;
-  MPI::COMM_WORLD::Allreduce( &tempBig, &bigSigma, 1, MPI_DOUBLE, MPI_MAX );
+  MPI::COMM_WORLD.Allreduce( &tempBig, &bigSigma, 1, MPI_DOUBLE, MPI_MAX );
 #endif  //is_mpi
 
   //calc rCut and rList
@@ -626,8 +640,8 @@ void LJ_FF::doForces( int calcPot ){
   doLJfortran( pos, frc, &(entry_plug->lrPot), &passedCalcPot );
 
 
- //  fprintf( stderr, 
-// 	   "lrPot =  %lf\n", entry_plug->lrPot );
+  //   fprintf( stderr, 
+  //   "lrPot =  %lf\n", entry_plug->lrPot );
   
 }