{ float invRSquaredOver4 = 0.25f*invR*invR; float rScaledRadiusJ = r+obcParams2.y; float rScaledRadiusI = r+obcParams1.y; float l_ijJ = RECIP(max(obcParams1.x, fabs(r-obcParams2.y))); float l_ijI = RECIP(max(obcParams2.x, fabs(r-obcParams1.y))); float u_ijJ = RECIP(rScaledRadiusJ); float u_ijI = RECIP(rScaledRadiusI); float l_ij2J = l_ijJ*l_ijJ; float l_ij2I = l_ijI*l_ijI; float u_ij2J = u_ijJ*u_ijJ; float u_ij2I = u_ijI*u_ijI; float t1J = LOG(u_ijJ*RECIP(l_ijJ)); float t1I = LOG(u_ijI*RECIP(l_ijI)); float t2J = (l_ij2J-u_ij2J); float t2I = (l_ij2I-u_ij2I); float term1 = (0.5f*(0.25f+obcParams2.y*obcParams2.y*invRSquaredOver4)*t2J + t1J*invRSquaredOver4)*invR; float term2 = (0.5f*(0.25f+obcParams1.y*obcParams1.y*invRSquaredOver4)*t2I + t1I*invRSquaredOver4)*invR; float tempdEdR = select(0.0f, bornForce1*term1, obcParams1.x < rScaledRadiusJ); tempdEdR += select(0.0f, bornForce2*term2, obcParams2.x < rScaledRadiusI); #ifdef USE_CUTOFF unsigned int includeInteraction = (atom1 < NUM_ATOMS && atom2 < NUM_ATOMS && atom1 != atom2 && r2 < CUTOFF_SQUARED); #else unsigned int includeInteraction = (atom1 < NUM_ATOMS && atom2 < NUM_ATOMS && atom1 != atom2); #endif dEdR += select(0.0f, tempdEdR, includeInteraction); }