--- trunk/OOPSE/libmdtools/LJFF.cpp 2004/01/13 23:01:43 941 +++ trunk/OOPSE/libmdtools/LJFF.cpp 2004/04/12 20:32:20 1097 @@ -331,7 +331,7 @@ void LJFF::readParams( void ){ MPIcheckPoint(); headAtomType = new LinkedAtomType; - recieveFrcStruct( &info, mpiAtomStructType ); + receiveFrcStruct( &info, mpiAtomStructType ); while( !info.last ){ @@ -341,7 +341,7 @@ void LJFF::readParams( void ){ MPIcheckPoint(); - recieveFrcStruct( &info, mpiAtomStructType ); + receiveFrcStruct( &info, mpiAtomStructType ); } } #endif // is_mpi @@ -418,10 +418,7 @@ void LJFF::initializeAtoms( int nAtoms, Atom** the_ato } the_atoms[i]->setMass( currentAtomType->mass ); - the_atoms[i]->setEpslon( currentAtomType->epslon ); - the_atoms[i]->setSigma( currentAtomType->sigma ); the_atoms[i]->setIdent( currentAtomType->ident ); - the_atoms[i]->setLJ(); if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma; }