--- trunk/src/nonbonded/RepulsivePower.cpp 2014/10/31 18:40:40 2031 +++ trunk/src/nonbonded/RepulsivePower.cpp 2014/11/01 14:12:16 2033 @@ -174,7 +174,7 @@ namespace OpenMD { *(idat.vpair) += pot_temp; RealType dudr = *(idat.sw) * *(idat.vdwMult) * epsilon * (myDeriv - - myDerivC)*sigmai; + myDerivC)*sigmai; (*(idat.pot))[VANDERWAALS_FAMILY] += *(idat.sw) * pot_temp; *(idat.f1) = *(idat.d) * dudr / *(idat.rij); @@ -182,7 +182,8 @@ namespace OpenMD { return; } - void RepulsivePower::getNRepulsionFunc(const RealType &r, int &n, RealType &pot, RealType &deriv) { + void RepulsivePower::getNRepulsionFunc(const RealType &r, int &n, + RealType &pot, RealType &deriv) { RealType ri = 1.0 / r; RealType rin = pow(ri, n);