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root/group/trunk/mdtools/headers/ForceFields.hpp
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Comparing trunk/mdtools/headers/ForceFields.hpp (file contents):
Revision 225 by mmeineke, Wed Jan 8 21:54:20 2003 UTC vs.
Revision 233 by mmeineke, Fri Jan 10 21:55:45 2003 UTC

# Line 124 | Line 124 | class LJ_FF : public ForceFields{ (public)
124    void initializeBonds( bond_pair* the_bonds );
125    void initializeBends( bend_set* the_bends );
126    void initializeTorsions( torsion_set* the_torsions );
127 +  void setLJfortran( void (*fortranSub)( double* positionArray,
128 +                                         double* forceArray,
129 +                                         double* potentialEnergy,
130 +                                         short int* doPotentialCalc ) ){
131 +    doLJfortran = fortranSub;
132 +  }
133  
134 +
135   private:
136  
137    void fastForward( char* stopText, char* searchOwner );
138 +  
139 +  // set our sister fortran module's function to be our own.
140 +  void wrapMe( void );
141 +  void (*doLJfortran)( double* positionArray,
142 +                       double* forceArray,
143 +                       double* potentialEnergy,
144 +                       short int* doPotentialCalc );
145  
146   };
147  

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