[threshold_lmct] type: double precision doc: threshold to select the pertinent LMCT excitations at second order interface: ezfio,provider,ocaml default: 0.01 [threshold_mlct] type: double precision doc: threshold to select the pertinent MLCT excitations at second order interface: ezfio,provider,ocaml default: 0.01 [threshold_fobo_dm] type: double precision doc: threshold to eliminate small density matrix elements in the fobo procedure interface: ezfio,provider,ocaml default: 0.00001 [do_it_perturbative] type: logical doc: if true, you do the FOBOCI calculation perturbatively interface: ezfio,provider,ocaml default: .False. [speed_up_convergence_foboscf] type: logical doc: if true, the threshold of the FOBO-SCF algorithms are increased with the iterations interface: ezfio,provider,ocaml default: .True. [dressing_2h2p] type: logical doc: if true, you do dress with 2h2p excitations each FOBOCI matrix interface: ezfio,provider,ocaml default: .False. [second_order_h] type: logical doc: if true, you do the FOBOCI calculation using second order intermediate Hamiltonian interface: ezfio,provider,ocaml default: .False. [do_all_2p] type: logical doc: if true, you do all 2p type excitation on the LMCT interface: ezfio,provider,ocaml default: .True.