make sure cutghost is initialized

This commit is contained in:
Axel Kohlmeyer
2025-04-07 17:59:45 -04:00
parent bfd496bee7
commit 52ce35adbc

View File

@ -361,6 +361,7 @@ double PairMLIAP::init_one(int i, int j)
"All pair coeffs are not set. Status\n" + Info::get_pair_coeff_status(lmp));
double cutmax = sqrt(descriptor->cutsq[map[i]][map[j]]);
if (ghostneigh) cutghost[i][j] = cutghost[j][i] = cutmax;
return cutmax;
}