(e6b8cca3) · Commits · 郑智淋 / lammps

src/force.cpp

+9 −0

Original line number	Diff line number	Diff line
		@@ -388,6 +388,15 @@ void Force::set_special(int narg, char **arg)
		special_coul[2] = 0.0;
		special_coul[3] = 0.0;
		iarg += 1;
		} else if (strcmp(arg[iarg],"dreiding") == 0) {
		if (iarg+1 > narg) error->all("Illegal special_bonds command");
		special_lj[1] = 0.0;
		special_lj[2] = 0.0;
		special_lj[3] = 1.0;
		special_coul[1] = 0.0;
		special_coul[2] = 0.0;
		special_coul[3] = 1.0;
		iarg += 1;
		} else if (strcmp(arg[iarg],"fene") == 0) {
		if (iarg+1 > narg) error->all("Illegal special_bonds command");
		special_lj[1] = 0.0;