program mrcc_stoch implicit none read_wf = .True. SOFT_TOUCH read_wf PROVIDE mo_bielec_integrals_in_map call run end subroutine run implicit none integer :: i,j,k logical, external :: detEq double precision, allocatable :: mrcc(:) integer :: degree integer :: n_det_before, to_select double precision :: threshold_davidson_in double precision :: E_CI_before, relative_error allocate (mrcc(N_states)) mrcc = 0.d0 !call random_seed() E_CI_before = mrcc_E0_denominator(1) + nuclear_repulsion threshold_selectors = 1.d0 threshold_generators = 1d0 relative_error = 5.d-2 call ZMQ_mrcc(E_CI_before, mrcc, relative_error) !print *, 'Final step' !print *, 'N_det = ', N_det print *, 'mrcc = ', mrcc !print *, 'E = ', E_CI_before !print *, 'E+mrcc = ', E_CI_before+mrcc !print *, '-----' !call ezfio_set_full_ci_zmq_energy_mrcc(E_CI_before+mrcc(1)) end