QEq does not require ghosts in the neighbor list

This commit is contained in:
Stan Gerald Moore
2022-03-03 16:16:13 -07:00
parent e5d2555cf2
commit 5888ba0514
3 changed files with 1 additions and 4 deletions

View File

@ -115,7 +115,6 @@ void FixACKS2ReaxFFKokkos<DeviceType>::init()
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->full = 0;
neighbor->requests[irequest]->half = 1;
neighbor->requests[irequest]->ghost = 1;
}
int ntypes = atom->ntypes;

View File

@ -117,7 +117,6 @@ void FixQEqReaxFFKokkos<DeviceType>::init()
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->full = 0;
neighbor->requests[irequest]->half = 1;
neighbor->requests[irequest]->ghost = 1;
}
int ntypes = atom->ntypes;

View File

@ -416,14 +416,13 @@ void FixQEqReaxFF::init()
"boundary when using charge equilibration with ReaxFF.");
}
// we need a half neighbor list w/ Newton off and ghost neighbors
// we need a half neighbor list w/ Newton off
// built whenever re-neighboring occurs
int irequest = neighbor->request(this,instance_me);
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->fix = 1;
neighbor->requests[irequest]->newton = 2;
neighbor->requests[irequest]->ghost = 1;
init_shielding();
init_taper();