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root/OpenMD/branches/development/src/applications/staticProps/BondOrderParameter.cpp
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Comparing branches/development/src/applications/staticProps/BondOrderParameter.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC

# Line 157 | Line 157 | namespace OpenMD {
157      RealType costheta;
158      RealType phi;
159      RealType r;
160 –    RealType dist;
160      std::map<std::pair<int,int>,ComplexType> q;
161      std::vector<RealType> q_l;
162      std::vector<RealType> q2;
# Line 170 | Line 169 | namespace OpenMD {
169      std::vector<ComplexType> W_hat;
170      int nBonds, Nbonds;
171      SphericalHarmonic sphericalHarmonic;
172 <    int i, j;
172 >    int i;
173  
174      DumpReader reader(info_, dumpFilename_);    
175      int nFrames = reader.getNFrames();
# Line 284 | Line 283 | namespace OpenMD {
283              }
284            }
285            
286 <          w_hat[l] = w[l] / pow(q2[l], 1.5);
286 >          w_hat[l] = w[l] / pow(q2[l], RealType(1.5));
287          }
288  
289          collectHistogram(q_l, w_hat);
# Line 329 | Line 328 | namespace OpenMD {
328          }
329        }
330        
331 <      W_hat[l] = W[l] / pow(Q2[l], 1.5);
331 >      W_hat[l] = W[l] / pow(Q2[l], RealType(1.5));
332      }
333      
334      writeOrderParameter(Q, W_hat);    

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