--- trunk/OOPSE/libmdtools/TraPPE_ExFF.cpp 2003/03/31 21:50:59 438 +++ trunk/OOPSE/libmdtools/TraPPE_ExFF.cpp 2003/04/02 15:01:06 442 @@ -99,6 +99,13 @@ namespace TPE { // restrict the access of the folowin return NULL; } + void printMe( void ){ + + std::cerr << "LinkedAtype " << name << ": ident = " << ident << "\n"; + if( next != NULL ) next->printMe(); + + } + void add( atomStruct &info ){ // check for duplicates @@ -140,6 +147,7 @@ namespace TPE { // restrict the access of the folowin info.dipole = dipole; info.w0 = w0; info.v0 = v0; + info.ident = ident; info.last = 0; } @@ -734,8 +742,11 @@ void TraPPE_ExFF::readParams( void ){ recieveFrcStruct( &atomInfo, mpiAtomStructType ); } } + #endif // is_mpi + + // call new A_types in fortran int isError;