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root/OpenMD/trunk/src/applications/staticProps/Hxy.cpp

Comparing trunk/src/applications/staticProps/Hxy.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 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	>	* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
41		*
41	–	*
42		*  Created by Xiuquan Sun on 05/09/06.
43		*  @author  Xiuquan Sun
44	<	*  @version $Id: Hxy.cpp,v 1.8 2009-11-25 20:01:59 gezelter Exp $
44	>	*  @version $Id$
45		*
46		*/
47
#	Line 100 | Line 100 | namespace OpenMD {
100		errbin_sum_sq.clear();
101		errbin_sq.clear();
102
103	<	for(int i=0; i < bin.size(); i++)
103	>	for(unsigned int i=0; i < bin.size(); i++)
104		bin[i].clear();
105	<	for(int i=0; i < samples.size(); i++)
105	>	for(unsigned int i=0; i < samples.size(); i++)
106		samples[i].clear();
107
108		mag.clear();
#	Line 115 | Line 115 | namespace OpenMD {
115		int nFrames = reader.getNFrames();
116		nProcessed_ = nFrames/step_;
117
118	<	for(int k=0; k < bin.size(); k++)
118	>	for(unsigned int k=0; k < bin.size(); k++)
119		bin[k].resize(nFrames);
120	<	for(int k=0; k < samples.size(); k++)
120	>	for(unsigned int k=0; k < samples.size(); k++)
121		samples[k].resize(nFrames);
122
123		RealType lenX_, lenY_;
#	Line 145 | Line 145 | namespace OpenMD {
145		std::fill(errbin_sum_sq.begin(), errbin_sum_sq.end(), 0.0);
146		std::fill(errbin_sq.begin(), errbin_sq.end(), 0.0);
147
148	<	for(int i=0; i < bin.size(); i++)
148	>	for(unsigned int i=0; i < bin.size(); i++)
149		std::fill(bin[i].begin(), bin[i].end(), 0.0);
150
151	<	for(int i=0; i < samples.size(); i++)
151	>	for(unsigned int i=0; i < samples.size(); i++)
152		std::fill(samples[i].begin(), samples[i].end(), 0);
153
154		for (int istep = 0; istep < nFrames; istep += step_) {

Comparing trunk/src/applications/staticProps/Hxy.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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