[N_det_max_fci] doc: Max number of determinants in the wave function type: Det_number_max default: 10000 [N_det_max_fci_property] doc: Max number of determinants in the wave function when you select for a given property type: Det_number_max default: 10000 [do_pt2_end] type: logical doc: If true, compute the PT2 at the end of the selection default: true [PT2_max] type: PT2_energy doc: The selection process stops when the largest PT2 (for all the state is lower than pt2_max in absolute value default: 0.0001 [var_pt2_ratio] type: Normalized_float doc: The selection process stops when the energy ratio variational/(variational+PT2) is equal to var_pt2_ratio default: 0.75 [energy] type: double precision doc: "Calculated Full CI energy" output: true [energy_pt2] type: double precision doc: "Calculated Full CI energy" output: true