Update pair_lj_class2_coul_cut.cpp (d91c7f38) · Commits · 郑智淋 / lammps

src/CLASS2/pair_lj_class2_coul_cut.cpp

+14 −0

Original line number	Diff line number	Diff line
		@@ -14,6 +14,7 @@
		#include <cmath>
		#include <cstdio>
		#include <cstdlib>
		#include <cstring>
		#include "pair_lj_class2_coul_cut.h"
		#include "atom.h"
		#include "comm.h"
		@@ -466,3 +467,16 @@ double PairLJClass2CoulCut::single(int i, int j, int itype, int jtype,

		return eng;
		}

		/* ---------------------------------------------------------------------- */

		void PairLJClass2CoulCut::extract(const char str, int &dim)
		{
		dim = 0;
		if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
		dim = 2;
		if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
		if (strcmp(str,"sigma") == 0) return (void *) sigma;
		return NULL;
		}