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root/OpenMD/trunk/src/applications/staticProps/BondOrderParameter.cpp
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Comparing trunk/src/applications/staticProps/BondOrderParameter.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   * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
41   *  Created by J. Daniel Gezelter on 09/26/06.
# Line 135 | Line 135 | namespace OpenMD {
135      m2Max.clear();
136    }
137    
138 <  void BondOrderParameter::initalizeHistogram() {
138 >  void BondOrderParameter::initializeHistogram() {
139      for (int bin = 0; bin < nBins_; bin++) {
140        for (int l = 0; l <= lMax_; l++) {
141          Q_histogram_[std::make_pair(bin,l)] = 0;
# Line 341 | Line 341 | namespace OpenMD {
341  
342      for (int l = 0; l <= lMax_; l++) {
343        if (q[l] >= MinQ_ && q[l] < MaxQ_) {
344 <        int qbin = (q[l] - MinQ_) / deltaQ_;
344 >        int qbin = int((q[l] - MinQ_) / deltaQ_);
345          Q_histogram_[std::make_pair(qbin,l)] += 1;
346          Qcount_[l]++;      
347        } else {
# Line 355 | Line 355 | namespace OpenMD {
355  
356      for (int l = 0; l <= lMax_; l++) {
357        if (real(what[l]) >= MinW_ && real(what[l]) < MaxW_) {
358 <        int wbin = (real(what[l]) - MinW_) / deltaW_;
358 >        int wbin = int((real(what[l]) - MinW_) / deltaW_);
359          W_histogram_[std::make_pair(wbin,l)] += 1;
360          Wcount_[l]++;      
361        } else {

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