neighbor list skin is added to custom cutoff automatically

This commit is contained in:
Axel Kohlmeyer
2023-06-29 21:32:04 -04:00
parent b7024288b6
commit ab1e090e0e

View File

@ -596,7 +596,7 @@ void PairKIM::init_style()
if (kim_cutoff_values[i] <= neighbor->skin)
error->all(FLERR,"Illegal neighbor request (force cutoff {:.3} <= skin {:.3})",
kim_cutoff_values[i], neighbor->skin);
req->set_cutoff(kim_cutoff_values[i] + neighbor->skin);
req->set_cutoff(kim_cutoff_values[i]);
}
// increment instance_me in case of need to change the neighbor list
// request settings