In the rdm function, setting spin_summed=False results in an expanded tensor with many zeros. For example, a 1-RDM will be block diagonal. I think we should change this to return, for example, a pair of RDMs, as the make_rdm1s function from PySCF does.
In the
rdm
function, settingspin_summed=False
results in an expanded tensor with many zeros. For example, a 1-RDM will be block diagonal. I think we should change this to return, for example, a pair of RDMs, as themake_rdm1s
function from PySCF does.slater_determinant_rdm
should also be updated.