program cisd implicit none integer :: i print *, 'HF = ', HF_energy print *, 'N_states = ', N_states N_det = 1 touch psi_det psi_coef N_det call H_apply_cisd print *, 'N_det = ', N_det do i = 1,N_states print *, 'energy = ',CI_energy(i) print *, 'E_corr = ',CI_electronic_energy(i) - ref_bitmask_energy enddo ! call CISD_SC2(psi_det,psi_coef,eigvalues,size(psi_coef,1),N_det,N_states,N_int) ! do i = 1, N_states ! print*,'eigvalues(i) = ',eigvalues(i) ! enddo end