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root/OpenMD/trunk/src/applications/staticProps/GofZ.cpp
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Comparing trunk/src/applications/staticProps/GofZ.cpp (file contents):
Revision 1878 by gezelter, Thu Aug 30 17:18:22 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 90 | Line 90 | namespace OpenMD {
90  
91    void GofZ::collectHistogram(StuntDouble* sd1, StuntDouble* sd2) {
92  
93 –    RealType thisZ;
94 –
93      if (sd1 == sd2) {
94        return;
95      }
# Line 107 | Line 105 | namespace OpenMD {
105      RealType xydist = sqrt(distance*distance - z2);
106  
107      if (xydist < rC_) {
108 <      thisZ = abs(r12.z());
108 >      RealType thisZ = abs(r12.z());
109        int whichBin = int(thisZ / deltaZ_);
110        histogram_[whichBin] += 2;
111      }

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