[ViewVC] Diff of: OpenMD/branches/development/src/minimizers/SDMinimizer.cpp

Comparing branches/development/src/minimizers/SDMinimizer.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1668 by gezelter, Fri Jan 6 19:03:05 2012 UTC

#	Line 91 \| Line 91 \| namespace OpenMD {
91
92		// test function tolerance test
93		fTol = paramSet->getFTol();
94	<	relativeFTol = fTol * std::max(1.0, fabs(curF)); // relative tolerance
94	>	relativeFTol = fTol * std::max(RealType(1.0), fabs(curF)); // relative tolerance
95		deltaF = prevF - curF;
96
97		if (fabs(deltaF) <= relativeFTol) {
#	Line 105 \| Line 105 \| namespace OpenMD {
105
106		//gradient tolerance test
107		gTol = paramSet->getGTol();
108	<	relativeGTol = gTol * std::max(1.0, fabs(curF));
108	>	relativeGTol = gTol * std::max(RealType(1.0), fabs(curF));
109
110		#ifndef IS_MPI
111

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