[do_pt2] type: logical doc: If `True`, compute the |PT2| contribution interface: ezfio,provider,ocaml 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: ezfio,provider,ocaml default: 0.0001 [pt2_relative_error] type: Normalized_float doc: Stop stochastic |PT2| when the relative error is smaller than `PT2_relative_error` interface: ezfio,provider,ocaml default: 0.002 [correlation_energy_ratio_max] type: Normalized_float doc: The selection process stops at a fixed correlation ratio (useful for getting same accuracy between molecules). Defined as :math:`{E_{CI}-E_{HF}}/{E_{CI}+E_{PT2} - E_{HF}}`. interface: ezfio,provider,ocaml default: 1.00