--- trunk/mdtools/headers/Atom.hpp	2002/07/16 01:22:04	29
+++ trunk/mdtools/headers/Atom.hpp	2002/07/16 21:10:49	30
@@ -160,6 +160,8 @@ class DirectionalAtom : public Atom { (public)
   double getAzy( void ) { return Azy; }
   double getAzz( void ) { return Azz; }
 
+  void getA( double the_A[3][3] ); // get the full rotation matrix
+
   double getSUx( void ) { return sux; }
   double getSUy( void ) { return suy; }
   double getSUz( void ) { return suz; }