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

Comparing trunk/src/applications/staticProps/pAngle.cpp (file contents):
Revision 1413 by gezelter, Mon Mar 22 19:21:22 2010 UTC vs.
Revision 1522 by kstocke1, Fri Nov 19 20:26:36 2010 UTC

#	Line 100 | Line 100 | namespace OpenMD {
100		seleMan_.setSelectionSet(evaluator_.evaluate());
101		}
102
103	+
104	+	int runningTot = 0;
105		for (sd = seleMan_.beginSelected(i); sd != NULL;
106		sd = seleMan_.nextSelected(i)) {
107	<
107	>
108		Vector3d pos = sd->getPos();
109
110		Vector3d r1 = CenterOfMass - pos;
#	Line 134 | Line 136 | namespace OpenMD {
136		atot += count_[i];
137
138		for(int i = 0; i < count_.size(); ++i) {
139	<	histogram_[i] = double(count_[i] / atot);
139	>	histogram_[i] = double(count_[i]) / double(atot);
140		}
141		}
142
#	Line 147 | Line 149 | namespace OpenMD {
149		rdfStream << "#nFrames:\t" << nProcessed_ << "\n";
150		rdfStream << "#selection: (" << selectionScript_ << ")\n";
151		rdfStream << "#cos(theta)\tp(cos(theta))\n";
152	+	RealType dct = 2.0 / histogram_.size();
153		for (int i = 0; i < histogram_.size(); ++i) {
154	<	RealType ct = -1.0 + i / histogram_.size();
155	<	rdfStream << ct << "\t" << histogram_[i] << "\n";
154	>	RealType ct = -1.0 + (2.0 * i + 1) / (histogram_.size());
155	>	rdfStream << ct << "\t" << histogram_[i]/dct << "\n";
156		}
157
158		} else {

Comparing trunk/src/applications/staticProps/pAngle.cpp (property svn:keywords):
Revision 1413 by gezelter, Mon Mar 22 19:21:22 2010 UTC vs.
Revision 1522 by kstocke1, Fri Nov 19 20:26:36 2010 UTC

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

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