[ViewVC] Diff of: group/trunk/mdtools/interface

Comparing trunk/mdtools/interface_implementation/SimSetup.cpp (file contents):
Revision 253 by chuckv, Thu Jan 30 15:20:21 2003 UTC vs.
Revision 261 by chuckv, Mon Feb 3 21:15:59 2003 UTC

#	Line 238 \| Line 238 \| void SimSetup::createSim( void ){
238
239		mpiSim = new mpiSimulation( simnfo );
240
241	+
242	+
243		globalIndex = mpiSim->divideLabor();
244	+
245	+
246
247		// set up the local variables
248
#	Line 392 \| Line 396 \| void SimSetup::createSim( void ){
396		the_ff->setSimInfo( simnfo );
397
398		makeAtoms();
399	<
399	>	//
400		if( tot_bonds ){
401		makeBonds();
402		}
#	Line 649 \| Line 653 \| void SimSetup::makeAtoms( void ){
653		for( i=0; i<mpiSim->getMyNlocal(); i++ ) the_atoms[i]->setGlobalIndex( globalIndex[i] );
654
655		delete[] globalIndex;
656	<	#endif IS_MPI
656	>
657	>	mpiSim->mpiRefresh();
658	>	#endif //IS_MPI
659
660		the_ff->initializeAtoms();
661		}
#	Line 690 \| Line 696 \| void SimSetup::makeBonds( void ){
696
697		#ifdef IS_MPI
698		}
699	<	#endif is_mpi
699	>	#endif //is_mpi
700
701		molIndex++;
702		}

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