--- trunk/mdtools/headers/SimInfo.hpp 2003/01/27 19:28:21 248 +++ trunk/mdtools/headers/SimInfo.hpp 2003/01/27 21:28:19 249 @@ -12,7 +12,7 @@ class SimInfo{ (public) public: - SimInfo(){} + SimInfo(); ~SimInfo(){} int n_atoms; // the number of atoms @@ -38,6 +38,8 @@ class SimInfo{ (public) SRI **sr_interactions;// the array of short range force objects LRI *longRange; // the long range force object + double lrPot; // the potential energy from the long range calculations. + double box_x, box_y, box_z; // the periodic boundry conditions double rList, rCut; // variables for the neighborlist