--- trunk/mdtools/headers/Atom.hpp 2002/10/17 21:58:55 143 +++ trunk/mdtools/headers/Atom.hpp 2002/11/21 20:33:06 184 @@ -82,13 +82,13 @@ class Atom{ (public) virtual int isDirectional( void ) = 0; -protected: - static double* pos; // the position array static double* vel; // the velocity array static double* frc; // the forc array static double* trq; // the torque vector ( space fixed ) +protected: + double c_mass; /* the mass of the atom in amu */ double c_sigma; /* the sigma parameter for van der walls interactions */ double c_epslon; /* the esplon parameter for VDW interactions */ @@ -106,6 +106,8 @@ class Atom{ (public) }; + + class GeneralAtom : public Atom{ public: