Loading src/USER-DPD/pair_exp6_rx.cpp +3 −3 Original line number Diff line number Diff line Loading @@ -1276,9 +1276,9 @@ void PairExp6rx::polynomialScaling(double phi, double &alpha, double &epsilon, d double phi4 = phi2*phi2; double phi5 = phi2*phi3; alpha = coeffAlpha[0]*phi5 + coeffAlpha[1]*phi4 + coeffAlpha[2]*phi3 + coeffAlpha[3]*phi2 + coeffAlpha[4]*phi + coeffAlpha[5]; epsilon = coeffEps[0]*phi5 + coeffEps[1]*phi4 + coeffEps[2]*phi3 + coeffEps[3]*phi2 + coeffEps[4]*phi + coeffEps[5]; rm = coeffRm[0]*phi5 + coeffRm[1]*phi4 + coeffRm[2]*phi3 + coeffRm[3]*phi2 + coeffRm[4]*phi + coeffRm[5]; alpha = (coeffAlpha[0]*phi5 + coeffAlpha[1]*phi4 + coeffAlpha[2]*phi3 + coeffAlpha[3]*phi2 + coeffAlpha[4]*phi + coeffAlpha[5]); epsilon *= (coeffEps[0]*phi5 + coeffEps[1]*phi4 + coeffEps[2]*phi3 + coeffEps[3]*phi2 + coeffEps[4]*phi + coeffEps[5]); rm *= (coeffRm[0]*phi5 + coeffRm[1]*phi4 + coeffRm[2]*phi3 + coeffRm[3]*phi2 + coeffRm[4]*phi + coeffRm[5]); } /* ---------------------------------------------------------------------- */ Loading Loading
src/USER-DPD/pair_exp6_rx.cpp +3 −3 Original line number Diff line number Diff line Loading @@ -1276,9 +1276,9 @@ void PairExp6rx::polynomialScaling(double phi, double &alpha, double &epsilon, d double phi4 = phi2*phi2; double phi5 = phi2*phi3; alpha = coeffAlpha[0]*phi5 + coeffAlpha[1]*phi4 + coeffAlpha[2]*phi3 + coeffAlpha[3]*phi2 + coeffAlpha[4]*phi + coeffAlpha[5]; epsilon = coeffEps[0]*phi5 + coeffEps[1]*phi4 + coeffEps[2]*phi3 + coeffEps[3]*phi2 + coeffEps[4]*phi + coeffEps[5]; rm = coeffRm[0]*phi5 + coeffRm[1]*phi4 + coeffRm[2]*phi3 + coeffRm[3]*phi2 + coeffRm[4]*phi + coeffRm[5]; alpha = (coeffAlpha[0]*phi5 + coeffAlpha[1]*phi4 + coeffAlpha[2]*phi3 + coeffAlpha[3]*phi2 + coeffAlpha[4]*phi + coeffAlpha[5]); epsilon *= (coeffEps[0]*phi5 + coeffEps[1]*phi4 + coeffEps[2]*phi3 + coeffEps[3]*phi2 + coeffEps[4]*phi + coeffEps[5]); rm *= (coeffRm[0]*phi5 + coeffRm[1]*phi4 + coeffRm[2]*phi3 + coeffRm[3]*phi2 + coeffRm[4]*phi + coeffRm[5]); } /* ---------------------------------------------------------------------- */ Loading
