[N_det_max_cas_sd] type: Det_number_max doc: Max number of determinants in the wave function interface: input default: 10000 [do_pt2_end] type: logical doc: If true, compute the PT2 at the end of the selection interface: input 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 interface: input 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 interface: input default: 0.75 [energy] type: double precision doc: "Calculated CAS-SD energy" interface: output [energy_pt2] type: double precision doc: "Calculated selected CAS-SD energy with PT2 correction" interface: output