program cisd implicit none integer :: i, j print *, 'HF = ', HF_energy print *, 'N_states = ', N_states 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 do j=1,N_det psi_coef(j,i) = CI_eigenvectors(j,i) enddo enddo SOFT_TOUCH CI_electronic_energy CI_eigenvectors call CISD_SC2(psi_det,psi_coef,CI_electronic_energy,size(psi_coef,1),N_det,N_states,N_int) TOUCH CI_electronic_energy CI_eigenvectors do i = 1, N_states print*,'eigvalues(i) = ',CI_energy(i) enddo end