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 ezfio_set_cisd_energy(CI_energy(1)) psi_coef = ci_eigenvectors SOFT_TOUCH psi_coef call save_wavefunction end