--- trunk/OOPSE/libmdtools/SimInfo.hpp	2003/09/16 20:02:11	767
+++ trunk/OOPSE/libmdtools/SimInfo.hpp	2003/09/22 23:07:57	781
@@ -162,6 +162,10 @@ class SimInfo{ (public)
   double matDet3(double m[3][3]);
   double matTrace3(double m[3][3]);
 
+  void crossProduct3(double a[3],double b[3], double out[3]);
+  double dotProduct3(double a[3], double b[3]);
+  double length3(double a[3]);
+  
   SimState* getConfiguration( void ) { return myConfiguration; }
   
   void addProperty(GenericData* prop); 
@@ -185,9 +189,14 @@ class SimInfo{ (public)
   double ecr;             // the electrostatic cutoff radius
   double est;             // the electrostatic skin thickness
   double maxCutoff;
+
+  double distXY;
+  double distYZ;
+  double distZX;
   
   void calcHmatInv( void );
   void calcBoxL();
+  double calcMaxCutOff();
   void checkCutOffs( void );
 
   // private function to initialize the fortran side of the simulation