Revert "make attempt_swap valgrind clean. now fails in pair->compute()."

This reverts commit deef742897.
This commit is contained in:
Axel Kohlmeyer
2025-06-05 05:53:46 -04:00
parent b3f160c118
commit 41bd3437f6

View File

@ -413,6 +413,10 @@ int FixNeighborSwap::attempt_swap()
// pick a random atom i
int i = pick_i_swap_atom();
if (i < 0) return 0;
// get global id and position of atom i
// get_global_i(i);
// build nearest-neighbor list based on atom i
@ -541,9 +545,8 @@ int FixNeighborSwap::pick_i_swap_atom()
i = local_swap_iatom_list[iwhichlocal];
MPI_Allreduce(&id[i], &id_center, 1, MPI_INT, MPI_MAX, world);
} else {
id_center = -1;
return -1;
}
return i;
}
/* ----------------------------------------------------------------------