add extra communication of special neighbors when using angle constraints

This commit is contained in:
Axel Kohlmeyer
2022-02-10 16:17:56 -05:00
parent e94854d54f
commit 61ff5250ee

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@ -412,6 +412,14 @@ void FixBondCreate::post_integrate()
int *mask = atom->mask;
int *type = atom->type;
if (constrainflag) {
// communicate partner and 1-2 special neighbors
// to correctly handle angle constraints
commflag = 3;
comm->forward_comm_fix(this);
}
neighbor->build_one(list,1);
inum = list->inum;
ilist = list->ilist;