fix parameters initialization bug in pair style lj/cubic (891be931) · Commits · 郑智淋 / lammps

src/pair_lj_cubic.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -222,10 +222,11 @@ void PairLJCubic::coeff(int narg, char **arg)
		double PairLJCubic::init_one(int i, int j)
		{
		if (setflag[i][j] == 0) {
		epsilon[i][j] = mix_energy(epsilon[i][i],epsilon[j][j],
		epsilon[i][j] = epsilon[j][i] = mix_energy(epsilon[i][i],epsilon[j][j],
		sigma[i][i],sigma[j][j]);
		sigma[i][j] = mix_distance(sigma[i][i],sigma[j][j]);
		cut_inner[i][j] = mix_distance(cut_inner[i][i],cut_inner[j][j]);
		sigma[i][j] = sigma[j][i] = mix_distance(sigma[i][i],sigma[j][j]);
		cut_inner[i][j] = cut_inner[j][i] = mix_distance(cut_inner[i][i],
		cut_inner[j][j]);
		cut[i][j] = mix_distance(cut[i][i],cut[j][j]);
		}