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root/OpenMD/trunk/src/applications/staticProps/TwoDGofR.cpp
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Comparing trunk/src/applications/staticProps/TwoDGofR.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 65 | Line 65 | namespace OpenMD {
65      std::fill(avgTwoDGofR_.begin(), avgTwoDGofR_.end(), 0.0);    
66    }
67  
68 <  void TwoDGofR::initalizeHistogram() {
68 >  void TwoDGofR::initializeHistogram() {
69      std::fill(histogram_.begin(), histogram_.end(), 0);
70    }
71  
# Line 108 | Line 108 | namespace OpenMD {
108      RealType distance = sqrt(r12.x()*r12.x() + r12.y()*r12.y());
109  
110      if (distance < len_) {
111 <      int whichBin = distance / deltaR_;
111 >      int whichBin = int(distance / deltaR_);
112        histogram_[whichBin] += 2;
113      }
114    }

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