[N_det_max_cisd_sc2] type: Det_number_max doc: Max number of determinants 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 states) is lower than abs(pt2_max) interface: input default: 0.0001 [energy] type: double precision doc: Calculated CISD_SC2 energy of ground_state interface: output [energy_pt2] type: double precision doc: Calculated CISD_SC2 energy+pt2 of ground_state interface: output