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

Comparing trunk/src/applications/staticProps/BondAngleDistribution.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1785 by jmichalk, Wed Aug 22 18:43:27 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).
40	<	*
39	>	* [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
41		*  Created by J. Daniel Gezelter on 07/27/07.
42		*  @author  J. Daniel Gezelter
43	<	*  @version $Id: BondAngleDistribution.cpp,v 1.2 2009-11-25 20:01:59 gezelter Exp $
43	>	*  @version $Id$
44		*
45		*/
46
#	Line 81 | Line 81 | namespace OpenMD {
81		histogram_.clear();
82		}
83
84	<	void BondAngleDistribution::initalizeHistogram() {
84	>	void BondAngleDistribution::initializeHistogram() {
85		for (int bin = 0; bin < nBins_; bin++) {
86		histogram_[bin] = 0;
87		}
#	Line 99 | Line 99 | namespace OpenMD {
99		Vector3d vec;
100		std::vector<Vector3d> bondvec;
101		std::vector<RealType> bonddist;
102	<	RealType costheta;
103	<	RealType r;
104	<	RealType dist;
102	>	RealType r;
103	>	int nBonds;
104	>	int i;
105
106	–	int nBonds;
107	–
108	–	int i, j;
109	–
106		DumpReader reader(info_, dumpFilename_);
107		int nFrames = reader.getNFrames();
108		frameCounter_ = 0;

Comparing trunk/src/applications/staticProps/BondAngleDistribution.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1785 by jmichalk, Wed Aug 22 18:43:27 2012 UTC

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

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