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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 1043 by gezelter, Thu Sep 21 14:45:08 2006 UTC vs.
Revision 1044 by gezelter, Thu Sep 21 18:04:52 2006 UTC

# Line 218 | Line 218 | namespace oopse {
218            QSq_l += norm(QBar_lm[m]);
219          }
220          std::cout << "qsq_l = " << QSq_l << "\n";
221 <        Q_l = sqrt(QSq_l*(4.0 * NumericConstant::PI / (2.0*(RealType)lNumber_ + 1)));
221 >        Q_l = sqrt(QSq_l * 4.0 * NumericConstant::PI /
222 >                   (2.0*(RealType)lNumber_ + 1.0));
223  
224          // Find Third Order Invariant W_l
225          
# Line 234 | Line 235 | namespace oopse {
235            for (int m_index = 1; m_index < (int)(m2Max - m2Min-1.0); m_index++) {
236              m2 = floor(m2Min) + m_index - 1;
237              m3 = -m1-m2;
238 <            W_l += THRCOF[m_index]*QBar_lm[m1+lNumber_]*QBar_lm[m2+lNumber_]*QBar_lm[m3+lNumber_];
238 >            W_l += THRCOF[m_index]*QBar_lm[m1]*QBar_lm[m2]*QBar_lm[m3];
239            }
240          }
241          

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