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Comparing branches/development/src/applications/staticProps/BondOrderParameter.cpp (file contents):
Revision 1600 by gezelter, Wed Aug 3 20:20:37 2011 UTC vs.
Revision 1668 by gezelter, Fri Jan 6 19:03:05 2012 UTC

# Line 36 | Line 36
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).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
40 < *
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.
42   *  @author  J. Daniel Gezelter
43   *  @version $Id$
# Line 264 | Line 264 | namespace OpenMD {
264          for (int l = 0; l <= lMax_; l++) {
265            q2[l] = 0.0;
266            for (int m = -l; m <= l; m++){
267 <            q[std::make_pair(l,m)] /= (RealType)nBonds;            
267 >            q[std::make_pair(l,m)] /= (RealType)nBonds;
268              q2[l] += norm(q[std::make_pair(l,m)]);
269            }
270            q_l[l] = sqrt(q2[l] * 4.0 * NumericConstant::PI / (RealType)(2*l + 1));
# Line 284 | Line 284 | namespace OpenMD {
284              }
285            }
286            
287 <          w_hat[l] = w[l] / pow(q2[l], 1.5);
287 >          w_hat[l] = w[l] / pow(q2[l], RealType(1.5));
288          }
289  
290          collectHistogram(q_l, w_hat);
# Line 329 | Line 329 | namespace OpenMD {
329          }
330        }
331        
332 <      W_hat[l] = W[l] / pow(Q2[l], 1.5);
332 >      W_hat[l] = W[l] / pow(Q2[l], RealType(1.5));
333      }
334      
335      writeOrderParameter(Q, W_hat);    

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