--- trunk/mdtools/headers/ForceFields.hpp 2003/01/10 17:27:28 232 +++ trunk/mdtools/headers/ForceFields.hpp 2003/01/10 21:55:45 233 @@ -124,10 +124,24 @@ class LJ_FF : public ForceFields{ (public) 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; + } + 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 ); };