--- trunk/mdtools/headers/Integrator.hpp 2003/01/17 21:53:33 237 +++ trunk/mdtools/headers/Integrator.hpp 2003/01/27 19:28:21 248 @@ -6,25 +6,22 @@ #include "SRI.hpp" #include "AbstractClasses.hpp" #include "SimInfo.hpp" +#include "ForceField.hpp" class Verlet : public Integrator { public: - Verlet( SimInfo &info ); + Verlet( SimInfo &info, ForceField* the_ff ); ~Verlet(); void integrate( void ); - void integrate_b( double time_length, double dt, - int n_bond_0, int n_bond_f, - int n_bend_0, int n_bend_f, - int n_torsion_0, int n_trosion_f, - bool do_bonds, bool do_bends, bool do_torsions, - bool do_LRI ); private: void move_a( double dt ); void move_b( double dt ); + ForceField* myFF; + SimInfo *entry_plug; // all the info we'll ever need int c_natoms; /* the number of atoms */ Atom **c_atoms; /* array of atom pointers */