10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-15 18:43:51 +01:00
QuantumPackage/plugins/local/basis_correction/TODO

5 lines
195 B
Plaintext
Raw Normal View History

2020-04-07 11:03:19 +02:00
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