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

Comparing trunk/OOPSE/libmdtools/LJFF.cpp (file contents):
Revision 829 by gezelter, Tue Oct 28 16:03:37 2003 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 356 \| Line 356 \| void LJFF::readParams( void ){
356		int isSSD = 0;
357		int isGB = 0;
358		int isEAM = 0;
359	+	int isCharge = 0;
360	+	double charge = 0.0;
361		double dipole = 0.0;
362
363		currentAtomType = headAtomType;
#	Line 369 \| Line 371 \| void LJFF::readParams( void ){
371		&isDipole,
372		&isGB,
373		&isEAM,
374	+	&isCharge,
375		&(currentAtomType->epslon),
376		&(currentAtomType->sigma),
377	+	&charge,
378		&dipole,
379		&isError );
380		if( isError ){
#	Line 414 \| Line 418 \| void LJFF::initializeAtoms( int nAtoms, Atom the_ato**
418		}
419
420		the_atoms[i]->setMass( currentAtomType->mass );
417	–	the_atoms[i]->setEpslon( currentAtomType->epslon );
418	–	the_atoms[i]->setSigma( currentAtomType->sigma );
421		the_atoms[i]->setIdent( currentAtomType->ident );
420	–	the_atoms[i]->setLJ();
422
423		if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma;
424		}

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines