#ifdef USE_CUTOFF if (!isExcluded && r2 < CUTOFF_SQUARED) { #else if (!isExcluded) { #endif float sig = sigmaEpsilon1.x + sigmaEpsilon2.x; float sig2 = invR*sig; sig2 *= sig2; float sig6 = sig2*sig2*sig2; float eps = sigmaEpsilon1.y*sigmaEpsilon2.y; float tempForce = eps*(12.0f*sig6 - 6.0f)*sig6; tempEnergy += eps*(sig6 - 1.0f)*sig6; const float EpsilonFactor = 138.935485f; #ifdef USE_CUTOFF tempForce += EpsilonFactor*posq1.w*posq2.w*(invR - 2.0f*REACTION_FIELD_K*r2); tempEnergy += EpsilonFactor*posq1.w*posq2.w*(invR + REACTION_FIELD_K*r2 - REACTION_FIELD_C); #else tempForce += EpsilonFactor*posq1.w*posq2.w*invR; tempEnergy += EpsilonFactor*posq1.w*posq2.w*invR; #endif dEdR += tempForce*invR*invR; }