program cisd implicit none integer :: i call H_apply_cisd double precision, allocatable :: eigvalues(:),eigvectors(:,:) allocate(eigvalues(n_det),eigvectors(n_det,n_det)) print *, 'N_det = ', N_det call lapack_diag(eigvalues,eigvectors,H_matrix_all_dets,n_det,n_det) ! print *, H_matrix_all_dets print *, '---' print *, 'HF:', HF_energy print *, '---' do i = 1,3 print *, 'energy(i) = ',eigvalues(i) + nuclear_repulsion enddo ! print *, eigvectors(:,1) deallocate(eigvalues,eigvectors) end