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root/group/trunk/OOPSE-4/src/applications/hydrodynamics/HydrodynamicsModel.cpp
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Comparing trunk/OOPSE-4/src/applications/hydrodynamics/HydrodynamicsModel.cpp (file contents):
Revision 2627 by tim, Wed Mar 15 21:28:49 2006 UTC vs.
Revision 2628 by tim, Wed Mar 15 22:08:25 2006 UTC

# Line 215 | Line 215 | void HydrodynamicsModel::calcDiffusionTensor() {
215      Ddrr = Dorr;
216      Ddtr = Dotr + Dorr * Uod;
217  
218 –    props_.diffCenter = rod;
219 –    props_.Ddtt = Ddtt;
220 –    props_.Ddtr = Ddtr;
221 –    props_.Ddrr = Ddrr;
222 –
218      SquareMatrix<double, 6> Dd;
219      Dd.setSubMatrix(0, 0, Ddtt);
220      Dd.setSubMatrix(0, 3, Ddtr.transpose());
# Line 235 | Line 230 | void HydrodynamicsModel::calcDiffusionTensor() {
230      //Xidtt in units of kcal*fs*mol^-1*Ang^-2
231      Xid *= OOPSEConstant::kb*temperature_/kt;
232  
233 +    props_.diffCenter = rod;
234 +    props_.Ddtt = Ddtt;
235 +    props_.Ddtr = Ddtr;
236 +    props_.Ddrr = Ddrr;
237      Xid.getSubMatrix(0, 0, props_.Xidtt);
238      Xid.getSubMatrix(0, 3, props_.Xidrt);
239      Xid.getSubMatrix(3, 0, props_.Xidtr);

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