[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/LJFF.cpp

Comparing trunk/OOPSE/libmdtools/LJFF.cpp (file contents):
Revision 941 by gezelter, Tue Jan 13 23:01:43 2004 UTC vs.
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC

#	Line 331 \| Line 331 \| void LJFF::readParams( void ){
331		MPIcheckPoint();
332
333		headAtomType = new LinkedAtomType;
334	<	recieveFrcStruct( &info, mpiAtomStructType );
334	>	receiveFrcStruct( &info, mpiAtomStructType );
335
336		while( !info.last ){
337
#	Line 341 \| Line 341 \| void LJFF::readParams( void ){
341
342		MPIcheckPoint();
343
344	<	recieveFrcStruct( &info, mpiAtomStructType );
344	>	receiveFrcStruct( &info, mpiAtomStructType );
345		}
346		}
347		#endif // is_mpi
#	Line 418 \| Line 418 \| void LJFF::initializeAtoms( int nAtoms, Atom the_ato**
418		}
419
420		the_atoms[i]->setMass( currentAtomType->mass );
421	–	the_atoms[i]->setEpslon( currentAtomType->epslon );
422	–	the_atoms[i]->setSigma( currentAtomType->sigma );
421		the_atoms[i]->setIdent( currentAtomType->ident );
424	–	the_atoms[i]->setLJ();
422
423		if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma;
424		}

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