Tyler

spin-orbital MO antisymmetrized integrals ordering

1

I'm looking over the psi4numpy CCSD.py code and trying to figure out the order of the integrals returned by "MO_spin = np.asarray(mints.mo_spin_eri(C, C))" https://github.com/psi4/psi4numpy/blob/master/Coupled-Cluster/Spin_Orbitals/CCSD/CCSD.py#L79 Does Psi4 order the integrals where...