--- trunk/mdtools/headers/ForceFields.hpp	2002/09/24 22:10:55	117
+++ trunk/mdtools/headers/ForceFields.hpp	2003/01/22 21:45:20	240
@@ -7,6 +7,10 @@ class bond_pair{
 #include "Atom.hpp"
 #include "SimInfo.hpp"
 
+#ifdef IS_MPI
+#include "mpiForceField.h"
+#endif
+
 class bond_pair{
 public:
   bond_pair(){}
@@ -61,11 +65,16 @@ class ForceFields{ (public)
   virtual void initializeBonds( bond_pair* the_bonds ) = 0;
   virtual void initializeBends( bend_set* the_bends ) = 0;
   virtual void initializeTorsions( torsion_set* the_torsions ) = 0;
+  virtual void doForces( void ) = 0;
 
 protected:
   
   FILE *frcFile;
   SimInfo* entry_plug;
+  
+  int lineNum;
+  char readLine[500];
+  char* eof_test;
 
 };
 
@@ -79,6 +88,7 @@ class TraPPEFF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void doForces( void ) {}
 };
 
 
@@ -92,6 +102,7 @@ class DipoleTestFF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void doForces( void ) {}
 };
 
 class TraPPE_ExFF : public ForceFields{
@@ -104,6 +115,38 @@ class TraPPE_ExFF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void doForces( void ) {}
 };
 
+class LJ_FF : public ForceFields{
+
+public:
+  LJ_FF();
+  virtual ~LJ_FF();
+  
+  void initializeAtoms( void );
+  void initializeBonds( bond_pair* the_bonds );
+  void initializeBends( bend_set* the_bends );
+  void initializeTorsions( torsion_set* the_torsions );
+  void setLJfortran( void (*fortranSub)( double* positionArray,
+					 double* forceArray,
+					 double* potentialEnergy,
+					 short int* doPotentialCalc ) ){
+    doLJfortran = fortranSub;
+  }
+  void doForces( void );
+
+private:
+
+  void fastForward( char* stopText, char* searchOwner );
+  
+  // set our sister fortran module's function to be our own.
+  void wrapMe( void );
+  void (*doLJfortran)( double* positionArray,
+		       double* forceArray,
+		       double* potentialEnergy,
+		       short int* doPotentialCalc );
+  void initFortran( void );
+};
+
 #endif