--- trunk/OOPSE/libmdtools/ForceFields.cpp 2003/04/08 14:39:40 478 +++ trunk/OOPSE/libmdtools/ForceFields.cpp 2003/04/08 15:20:44 479 @@ -39,7 +39,6 @@ void ForceFields::doForces( int calcPot, int calcStres double* frc; double* pos; double* trq; - double* tau; double* A; double* u_l;; DirectionalAtom* dAtom; @@ -80,30 +79,26 @@ void ForceFields::doForces( int calcPot, int calcStres trq = Atom::getTrqArray(); A = Atom::getAmatArray(); u_l = Atom::getUlArray(); - tau = entry_plug->tau; isError = 0; entry_plug->lrPot = 0.0; - tau[0] = 0.0; - tau[1] = 0.0; - tau[2] = 0.0; - + for (i=0; i<9; i++) { + entry_plug->tau[i] = 0.0; + } - fortranForceLoop( pos, A, u_l, frc, trq, - tau, + entry_plug->tau, &(entry_plug->lrPot), &passedCalcPot, &passedCalcStress, &isError ); - // delete[] u_l; if( isError ){