Fixed bugs in body rounded/polydedra for correct size_border (5124c9e9) · Commits · 郑智淋 / lammps

src/BODY/body_rounded_polyhedron.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -48,13 +48,13 @@ BodyRoundedPolyhedron::BodyRoundedPolyhedron(LAMMPS lmp, int narg, char *arg)

		size_forward = 0;

		// 1 integer for number of vertices,
		// 3 integers: 1 for no. of vertices, 1 for no. of edges, 1 for no. of faces
		// 3nmax doubles for vertex coordinates + 2nmax doubles for edge ends +
		// (MAX_FACE_SIZE+1)*nmax for faces
		// 1 double for the enclosing radius
		// 1 double for the rounded radius

		size_border = 1 + 3nmax + 2nmax + MAX_FACE_SIZE*nmax + 1 + 1;
		size_border = 3 + 3nmax + 2nmax + MAX_FACE_SIZE*nmax + 1 + 1;

		// NOTE: need to set appropriate nnbin param for dcp

		@@ -159,7 +159,7 @@ int BodyRoundedPolyhedron::pack_border_body(AtomVecBody::Bonus bonus, double b
		buf[2] = nfac;
		int ndouble;
		if (nsub == 1 \|\| nsub == 2) ndouble = 3nsub+2+MAX_FACE_SIZEnfac+1+1;
		else ndouble = 3nsub+2nedges(bonus)+MAX_FACE_SIZE*nfac+1+1;
		else ndouble = 3nsub+2ned+MAX_FACE_SIZE*nfac+1+1;
		memcpy(&buf[3],bonus->dvalue,ndouble*sizeof(double));
		return 3+ndouble;
		}
		@@ -177,7 +177,7 @@ int BodyRoundedPolyhedron::unpack_border_body(AtomVecBody::Bonus *bonus,
		bonus->ivalue[2] = nfac;
		int ndouble;
		if (nsub == 1 \|\| nsub == 2) ndouble = 3nsub+2+MAX_FACE_SIZEnfac+1+1;
		else ndouble = 3nsub+2nedges(bonus)+MAX_FACE_SIZE*nfac+1+1;
		else ndouble = 3nsub+2ned+MAX_FACE_SIZE*nfac+1+1;
		memcpy(bonus->dvalue,&buf[3],ndouble*sizeof(double));
		return 3+ndouble;
		}