Closed Ruibin-Liu closed 2 years ago
When deleting and adding a bond between atom i and j, the previous actions:
i
j
delete!(atom_i.partners, atom_j.i) delete!(atom_j.partners, atom_j.i)
and
push!(atom_i.partners, atom_j.i) push!(atom_j.partners, atom_j.i)
would get atom i's partners correctly, but only delete/add itself from atom j's partners. Instead, we should change as below:
delete!(atom_i.partners, atom_j.i) delete!(atom_j.partners, atom_i.i)
push!(atom_i.partners, atom_j.i) push!(atom_j.partners, atom_i.i)
You are correct, thanks.
When deleting and adding a bond between atom
i
andj
, the previous actions:and
would get atom
i
's partners correctly, but only delete/add itself from atomj
's partners. Instead, we should change as below:and