For example, the function make_rdm12s from pyscf returns not only the 2-RDM but also the 1-RDM. Currently, we just discard the 1-RDM. If ffsim.rdm is called with return_lower_ranks=True, then it should return all of the RDMs up to the given rank, not just the single one.
For example, the function
make_rdm12s
from pyscf returns not only the 2-RDM but also the 1-RDM. Currently, we just discard the 1-RDM. Ifffsim.rdm
is called withreturn_lower_ranks=True
, then it should return all of the RDMs up to the given rank, not just the single one.