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root/OpenMD/branches/development/src/minimizers/Minimizer.cpp

Comparing:
trunk/src/minimizers/Minimizer.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/minimizers/Minimizer.cpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 829 | Line 829 | namespace OpenMD {
829		int convgStatus;
830		int stepStatus;
831		int maxIter;
832	<	int writeFrq;
832	>	int writeFreq;
833		int nextWriteIter;
834		Snapshot* curSnapshot =info->getSnapshotManager()->getCurrentSnapshot();
835		DumpWriter dumpWriter(info);
#	Line 840 | Line 840 | namespace OpenMD {
840
841		init();
842
843	<	writeFrq = paramSet->getWriteFrq();
843	>	writeFreq = paramSet->getWriteFreq();
844
845	<	nextWriteIter = writeFrq;
845	>	nextWriteIter = writeFreq;
846
847		maxIter = paramSet->getMaxIteration();
848
#	Line 870 | Line 870 | namespace OpenMD {
870		curSnapshot->increaseTime(1);
871
872		if (curIter == nextWriteIter) {
873	<	nextWriteIter += writeFrq;
873	>	nextWriteIter += writeFreq;
874		calcF();
875		dumpWriter.writeDumpAndEor();
876		statWriter.writeStat(curSnapshot->statData);
#	Line 902 | Line 902 | namespace OpenMD {
902
903
904		RealType Minimizer::calcPotential() {
905	<	forceMan->calcForces(true, false);
905	>	forceMan->calcForces();
906
907		Snapshot* curSnapshot = info->getSnapshotManager()->getCurrentSnapshot();
908		RealType potential_local = curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] +

Comparing:
trunk/src/minimizers/Minimizer.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/minimizers/Minimizer.cpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 0 | Line 1
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