Update bond_nonlinear.cpp (ef112be8) · Commits · 郑智淋 / lammps

src/MOLECULE/bond_nonlinear.cpp

+10 −0

Original line number	Diff line number	Diff line
		@@ -202,3 +202,13 @@ double BondNonlinear::single(int type, double rsq, int /i/, int /j/,
		fforce = -epsilon[type]/r * 2.0drlamdasq/denomsq;
		return epsilon[type] * drsq / denom;
		}

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

		void BondNonlinear::extract( char str, int &dim )
		{
		dim = 1;
		if (strcmp(str,"epsilon")==0) return (void*) epsilon;
		if (strcmp(str,"r0")==0) return (void*) r0;
		return NULL;
		}