--- trunk/OOPSE-3.0/src/primitives/DirectionalAtom.hpp 2004/09/24 16:27:58 1492 +++ trunk/OOPSE-3.0/src/primitives/DirectionalAtom.hpp 2004/11/04 16:22:03 1709 @@ -20,6 +20,9 @@ class DirectionalAtom : public Atom { (public) for (int j=0; j < 3; j++) sU[i][j] = 0.0; + is_linear = false; + linear_axis = -1; + momIntTol = 1e-6; } virtual ~DirectionalAtom() {} @@ -50,6 +53,9 @@ class DirectionalAtom : public Atom { (public) void setI( double the_I[3][3] ); void getI( double the_I[3][3] ); + + bool isLinear() {return is_linear;} + int linearAxis() {return linear_axis;} void lab2Body( double r[3] ); void body2Lab( double r[3] ); @@ -80,6 +86,10 @@ class DirectionalAtom : public Atom { (public) double Iyx, Iyy, Iyz; double Izx, Izy, Izz; + bool is_linear; + int linear_axis; + double momIntTol; + }; #endif