[ViewVC] Diff of: OpenMD/branches/development/src/applications/staticProps/GofAngle2.cpp

Comparing branches/development/src/applications/staticProps/GofAngle2.cpp (file contents):
Revision 1794 by gezelter, Thu Sep 6 19:44:06 2012 UTC vs.
Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

#	Line 35 \| Line 35
35		*
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).
38	>	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39		* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40		* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
#	Line 139 \| Line 139 \| namespace OpenMD {
139		rdfStream << "selection2: (" << selectionScript2_ << ")\n";
140		rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n";
141		for (unsigned int i = 0; i < avgGofr_.size(); ++i) {
142	<	RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
143	<
142	>	// RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
143	>
144		for(unsigned int j = 0; j < avgGofr_[i].size(); ++j) {
145	<	RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
145	>	// RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
146		rdfStream <<avgGofr_[i][j]/nProcessed_ << "\t";
147		}
148

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