Update pair_lj_class2.cpp (968e5669) · Commits · 郑智淋 / lammps

src/CLASS2/pair_lj_class2.cpp

+11 −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.h"
		#include "atom.h"
		#include "comm.h"
		@@ -394,3 +395,13 @@ double PairLJClass2::single(int /i/, int /j/, int itype, int jtype, double r
		offset[itype][jtype];
		return factor_lj*philj;
		}

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

		void PairLJClass2::extract(const char str, int &dim)
		{
		dim = 2;
		if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
		if (strcmp(str,"sigma") == 0) return (void *) sigma;
		return NULL;
		}