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root/OpenMD/trunk/src/nonbonded/RepulsivePower.cpp
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Comparing trunk/src/nonbonded/RepulsivePower.cpp (file contents):
Revision 2031 by jmichalk, Fri Oct 31 18:40:40 2014 UTC vs.
Revision 2033 by gezelter, Sat Nov 1 14:12:16 2014 UTC

# Line 174 | Line 174 | namespace OpenMD {
174      *(idat.vpair) += pot_temp;
175      
176      RealType dudr = *(idat.sw) * *(idat.vdwMult) * epsilon * (myDeriv -
177 <                                                              myDerivC)*sigmai;      
177 >                                                              myDerivC)*sigmai;
178      
179      (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp;
180      *(idat.f1) = *(idat.d) * dudr / *(idat.rij);
# Line 182 | Line 182 | namespace OpenMD {
182      return;
183    }
184  
185 <  void RepulsivePower::getNRepulsionFunc(const RealType &r, int &n, RealType &pot, RealType &deriv) {
185 >  void RepulsivePower::getNRepulsionFunc(const RealType &r, int &n,
186 >                                         RealType &pot, RealType &deriv) {
187  
188      RealType ri = 1.0 / r;
189      RealType rin = pow(ri, n);

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