--- trunk/mdtools/interface_implementation/LJ_FF.cpp	2003/01/28 22:16:55	252
+++ trunk/mdtools/interface_implementation/LJ_FF.cpp	2003/01/30 20:03:37	254
@@ -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;
@@ -73,6 +71,7 @@ LJ_FF::LJ_FF(){
 // begins the actual forcefield stuff.	
 //****************************************************************
 
+
 LJ_FF::LJ_FF(){
 
   char fileName[200];
@@ -438,7 +437,7 @@ 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
@@ -605,12 +604,12 @@ void LJ_FF::doForces( void ){
 }
 
 
-void LJ_FF::doForces( void ){
+void LJ_FF::doForces( int calcPot ){
 
   int i;
   double* frc;
   double* pos;
-  short int calcPot = 1;
+  short int passedCalcPot = (short int)calcPot;
 
   // forces are zeroed here, before any are acumulated.
   // NOTE: do not rezero the forces in Fortran.
@@ -622,7 +621,13 @@ void LJ_FF::doForces( void ){
   frc = Atom::getFrcArray();
   pos = Atom::getPosArray();
 
-  doLJfortran( pos, frc, &(entry_plug->lrPot), &calcPot );
+//   entry_plug->lrPot = -1;
+  doLJfortran( pos, frc, &(entry_plug->lrPot), &passedCalcPot );
+
+
+ //  fprintf( stderr, 
+// 	   "lrPot =  %lf\n", entry_plug->lrPot );
+  
 }
   
 void LJ_FF::initFortran( void ){