--- branches/development/src/nonbonded/Sticky.cpp 2013/01/15 16:28:22 1833 +++ branches/development/src/nonbonded/Sticky.cpp 2013/01/28 15:44:32 1840 @@ -233,6 +233,7 @@ namespace OpenMD { } } + RealType wi = 2.0*(xi2-yi2)*zi / r3; RealType wj = 2.0*(xj2-yj2)*zj / r3; RealType w = wi+wj; @@ -284,6 +285,7 @@ namespace OpenMD { 0.0); if (isPower) { + cerr << "This is probably an error!\n"; RealType frac1 = 0.25; RealType frac2 = 0.75; RealType wi2 = wi*wi; @@ -330,7 +332,7 @@ namespace OpenMD { Vector3d fjj = A2trans * radcomj; // now assemble these with the radial-only terms: - + *(idat.f1) += RealType(0.5) * ((v0*dsdr*w + v0p*dspdr*wp) * *(idat.d) / *(idat.rij) + fii - fjj);