--- trunk/OOPSE/libmdtools/ForceFields.cpp 2004/04/12 20:32:20 1097 +++ trunk/OOPSE/libmdtools/ForceFields.cpp 2004/05/01 18:52:38 1144 @@ -78,7 +78,9 @@ void ForceFields::doForces( int calcPot, int calcStres double* pos; double* trq; double* A; - double* u_l;; + double* u_l; + double* rc; + double* massRatio; SimState* config; short int passedCalcPot = (short int)calcPot; @@ -112,6 +114,8 @@ void ForceFields::doForces( int calcPot, int calcStres trq = config->getTrqArray(); A = config->getAmatArray(); u_l = config->getUlArray(); + rc = config->getRcArray(); + massRatio = config->getMassRatioArray(); isError = 0; entry_plug->lrPot = 0.0; @@ -126,6 +130,7 @@ void ForceFields::doForces( int calcPot, int calcStres #endif fortranForceLoop( pos, + rc, A, u_l, frc, @@ -136,6 +141,7 @@ void ForceFields::doForces( int calcPot, int calcStres &passedCalcStress, &isError ); + #ifdef PROFILE endProfile(pro8); #endif