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Fixed bugs in body rounded/polydedra for correct size_border

This commit is contained in:
Trung Nguyen 2018-07-10 16:53:26 -05:00
parent 13338bf8cb
commit 5124c9e993
1 changed files with 4 additions and 4 deletions
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8
src/BODY/body_rounded_polyhedron.cpp
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@ -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
// 3*nmax doubles for vertex coordinates + 2*nmax 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 + 3*nmax + 2*nmax + MAX_FACE_SIZE*nmax + 1 + 1;
size_border = 3 + 3*nmax + 2*nmax + 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 = 3*nsub+2+MAX_FACE_SIZE*nfac+1+1;
else ndouble = 3*nsub+2*nedges(bonus)+MAX_FACE_SIZE*nfac+1+1;
else ndouble = 3*nsub+2*ned+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 = 3*nsub+2+MAX_FACE_SIZE*nfac+1+1;
else ndouble = 3*nsub+2*nedges(bonus)+MAX_FACE_SIZE*nfac+1+1;
else ndouble = 3*nsub+2*ned+MAX_FACE_SIZE*nfac+1+1;
memcpy(bonus->dvalue,&buf[3],ndouble*sizeof(double));
return 3+ndouble;
}