--- trunk/OOPSE/libmdtools/SimState.hpp 2004/08/09 14:50:35 1451 +++ trunk/OOPSE/libmdtools/SimState.hpp 2004/08/23 15:11:36 1452 @@ -21,7 +21,8 @@ class SimState{ (public) double** trq, double** Amat, double** mu, - double** ul); + double** ul, + double** quat); double* getFrcArray ( void ) { return frc; } @@ -29,6 +30,7 @@ class SimState{ (public) double* getTrqArray ( void ) { return trq; } double* getAmatArray( void ) { return Amat; } double* getUlArray ( void ) { return ul; } + double* getQuatArray(void) {return quat;} private: int nElements; // the number of elements in the arrays @@ -41,6 +43,7 @@ class SimState{ (public) double* Amat; // the rotation matrix double* mu; // the dipole moment array double* ul; // the lab frame unit directional vector + double* quat; // the quaternion array };