9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-07 00:25:57 +02:00
qp2/plugins/local/basis_correction/TODO

5 lines
195 B
Plaintext

change all correlation functionals with the pbe_on_top general
factor 2 in two-rdm involved in:
on-top, mu(r), pbe-on-top, sc_basis_corr and so on
casscf : state_av_act_2_rdm_spin_trace_mo