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

Comparing trunk/OOPSE/libmdtools/ConjugateMinimizer.cpp (file contents):
Revision 1030 by tim, Wed Feb 4 22:26:00 2004 UTC vs.
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC

#	Line 65 \| Line 65 \| void ConjugateMinimizerBase::minimize(){
65
66		maxIteration = paramSet->getMaxIteration();
67
68	<	for(currentIter = 0;currentIter < maxIteration; currentIter++){
68	>	for(currentIter = 1;currentIter <= maxIteration; currentIter++){
69
70		// perform line search to minimize f(x + lamda * direction) where stepSize > 0
71		lsMinimizer->minimize(direction, 0.0, 1.0);
#	Line 133 \| Line 133 \| int ConjugateMinimizerBase::checkConvergence(){
133
134		//test absolute gradient tolerance
135
136	<	if (sqrt(dotProduct(gradient, gradient)) < paramSet->getGradTol())
136	>	if (sqrt(dotProduct(gradient, gradient)) < paramSet->getGTol())
137		return 1;
138		else
139		return -1;

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