some more whitespace cleanup (dc1d93a4) · Commits · 郑智淋 / lammps

src/USER-MISC/pair_zhou.cpp

+44 −41

Original line number	Diff line number	Diff line
		@@ -105,7 +105,8 @@ void PairZhou::compute(int eflag, int vflag)
		ddexp = exp(-dscale * (r/rr[itype][jtype] - 1.0));
		invexp = 1.0/(1+ddexp);
		fpair = morse1[itype][jtype] * (dexp*dexp - dexp) / r;
		fpair -= sscalec[itype][jtype] (invexpinvexpddexp(-dscale/rr[itype][jtype])r6inv) / r;
		fpair -= sscale*c[itype][jtype]
		* (invexpinvexpddexp(-dscale/rr[itype][jtype])r6inv) / r;
		fpair -= sscalec[itype][jtype] (6.0 * invexp * r6inv * r2inv);
		fpair *= factor_lj;

		@@ -187,7 +188,9 @@ void PairZhou::settings(int narg, char **arg)

		void PairZhou::coeff(int narg, char **arg)
		{
		if (narg < 7 \|\| narg > 8) error->all(FLERR,"Incorrect args for pair coefficients");
		if (narg < 7 \|\| narg > 8)
		error->all(FLERR,"Incorrect args for pair coefficients");

		if (!allocated) allocate();

		int ilo,ihi,jlo,jhi;