--- trunk/OOPSE/libmdtools/EAM_FF.cpp 2003/10/28 16:03:37 829 +++ trunk/OOPSE/libmdtools/EAM_FF.cpp 2004/01/13 23:01:43 941 @@ -272,7 +272,7 @@ void EAM_FF::calcRcut( void ){ MPI_Allreduce( &tempEamRcut, &eamRcut, 1, MPI_DOUBLE, MPI_MAX, MPI_COMM_WORLD); #endif //is_mpi - entry_plug->setRcut(eamRcut); + entry_plug->setDefaultRcut(eamRcut); } @@ -449,8 +449,10 @@ void EAM_FF::readParams( void ){ int isDipole = 0; int isSSD = 0; int isGB = 0; - int isEAM= 1; + int isEAM = 1; + int isCharge = 0; double dipole = 0.0; + double charge = 0.0; double eamSigma = 0.0; double eamEpslon = 0.0; @@ -465,8 +467,10 @@ void EAM_FF::readParams( void ){ &isDipole, &isGB, &isEAM, + &isCharge, &eamEpslon, &eamSigma, + &charge, &dipole, &isError ); if( isError ){