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

Comparing trunk/src/applications/staticProps/BondOrderParameter.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1610 by gezelter, Fri Aug 12 14:37:25 2011 UTC

#	Line 40 | Line 40
40		*
41		*  Created by J. Daniel Gezelter on 09/26/06.
42		*  @author  J. Daniel Gezelter
43	<	*  @version $Id: BondOrderParameter.cpp,v 1.23 2009-11-25 20:01:59 gezelter Exp $
43	>	*  @version $Id$
44		*
45		*/
46
#	Line 107 | Line 107 | namespace OpenMD {
107		Wigner3jm(&lPass, &lPass, &lPass,
108		&m1Pass, &m2m, &m2M,
109		THRCOF, &mSize, &error);
110	<
110	>
111		m2Min[lm] = (int)floor(m2m);
112		m2Max[lm] = (int)floor(m2M);
113
#	Line 250 | Line 250 | namespace OpenMD {
250		for(int m = -l; m <= l; m++){
251		sphericalHarmonic.setM(m);
252		q[std::make_pair(l,m)] += sphericalHarmonic.getValueAt(costheta, phi);
253	+
254		}
255		}
256		nBonds++;
#	Line 263 | Line 264 | namespace OpenMD {
264		q2[l] = 0.0;
265		for (int m = -l; m <= l; m++){
266		q[std::make_pair(l,m)] /= (RealType)nBonds;
267	+
268		q2[l] += norm(q[std::make_pair(l,m)]);
269		}
270		q_l[l] = sqrt(q2[l] * 4.0 * NumericConstant::PI / (RealType)(2*l + 1));

Comparing trunk/src/applications/staticProps/BondOrderParameter.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1610 by gezelter, Fri Aug 12 14:37:25 2011 UTC

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

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