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

Comparing:
trunk/src/minimizers/MinimizerParameterSet.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/minimizers/MinimizerParameterSet.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 36 | Line 36
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#include "minimizers/MinimizerParameterSet.hpp"
#	Line 60 | Line 61 | namespace OpenMD {
61		setMaxIteration(globals->getMinimizerMaxIter());
62		}
63
64	<	if (globals->haveMinimizerWriteFrq()){
64	>	if (globals->haveMinimizerWriteFreq()){
65		setMaxIteration(globals->getMinimizerMaxIter());
66		}
67
68	<	if (globals->haveMinimizerWriteFrq()){
69	<	setWriteFrq(globals->getMinimizerWriteFrq());
68	>	if (globals->haveMinimizerWriteFreq()){
69	>	setWriteFreq(globals->getMinimizerWriteFreq());
70		}
71
72		if (globals->haveMinimizerStepSize()){
#	Line 88 | Line 89 | namespace OpenMD {
89		stepTol = defaultTolerance;
90		fTol = defaultTolerance;
91		gTol = defaultTolerance;
92	<	writeFrq = maxIteration;
92	>	writeFreq = maxIteration;
93		lsMaxIteration = 50;
94		lsTol = defaultTolerance;
95		}

Comparing:
trunk/src/minimizers/MinimizerParameterSet.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/minimizers/MinimizerParameterSet.cpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 0 | Line 1
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