--- trunk/OOPSE/libmdtools/ForceFields.cpp 2003/08/07 21:47:18 670 +++ trunk/OOPSE/libmdtools/ForceFields.cpp 2003/10/28 16:03:37 829 @@ -3,7 +3,7 @@ using namespace std; using namespace std; -#include +#include #ifdef IS_MPI #include @@ -27,6 +27,7 @@ void ForceFields::calcRcut( void ){ //calc rCut and rList entry_plug->setRcut( 2.5 * bigSigma ); + } void ForceFields::doForces( int calcPot, int calcStress ){ @@ -37,7 +38,6 @@ void ForceFields::doForces( int calcPot, int calcStres double* trq; double* A; double* u_l;; - DirectionalAtom* dAtom; SimState* config; short int passedCalcPot = (short int)calcPot;