--- trunk/OOPSE/libmdtools/ForceFields.cpp 2003/10/29 20:41:39 843 +++ trunk/OOPSE/libmdtools/ForceFields.cpp 2003/12/22 21:27:04 892 @@ -10,6 +10,10 @@ using namespace std; #endif // is_mpi +#ifdef PROFILE +#include "mdProfile.hpp" +#endif + #include "simError.h" #include "ForceFields.hpp" #include "Atom.hpp" @@ -50,10 +54,18 @@ void ForceFields::doForces( int calcPot, int calcStres entry_plug->atoms[i]->zeroForces(); } +#ifdef PROFILE + startProfile(pro7); +#endif + for(i=0; in_mol; i++ ){ entry_plug->molecules[i].calcForces(); } +#ifdef PROFILE + endProfile( pro7 ); +#endif + config = entry_plug->getConfiguration(); frc = config->getFrcArray(); @@ -70,6 +82,10 @@ void ForceFields::doForces( int calcPot, int calcStres } +#ifdef PROFILE + startProfile(pro8); +#endif + fortranForceLoop( pos, A, u_l, @@ -81,6 +97,9 @@ void ForceFields::doForces( int calcPot, int calcStres &passedCalcStress, &isError ); +#ifdef PROFILE + endProfile(pro8); +#endif if( isError ){