[ViewVC] Diff of: OpenMD/trunk/src/applications/staticProps/GofR.cpp

Comparing trunk/src/applications/staticProps/GofR.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 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 63 \| Line 63 \| namespace OpenMD {
63		std::fill(avgGofr_.begin(), avgGofr_.end(), 0.0);
64		}
65
66	<	void GofR::initalizeHistogram() {
66	>	void GofR::initializeHistogram() {
67		std::fill(histogram_.begin(), histogram_.end(), 0);
68		}
69
#	Line 102 \| Line 102 \| namespace OpenMD {
102		RealType distance = r12.length();
103
104		if (distance < len_) {
105	<	int whichBin = distance / deltaR_;
105	>	int whichBin = int(distance / deltaR_);
106		histogram_[whichBin] += 2;
107		}
108		}

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