program cisd implicit none integer :: i,k double precision, allocatable :: eigvalues(:),eigvectors(:,:) PROVIDE ref_bitmask_energy H_apply_buffer_allocated mo_bielec_integrals_in_map ! N_states = 8 ! TOUCH N_states double precision, allocatable :: pt2(:), norm_pert(:) double precision :: H_pert_diag integer :: N_st N_st = N_states allocate (pt2(N_st), norm_pert(N_st)) call H_apply_cisd_pt2(pt2, norm_pert, H_pert_diag, N_st) allocate(eigvalues(n_states),eigvectors(n_det,n_states)) print *, 'N_det = ', N_det print *, 'N_states = ', N_states print *, 'pt2 = ', pt2 print *, 'E = ', reference_energy+pt2+nuclear_repulsion return end