program CIS_full implicit none integer :: i provide eigenvalues_CIS call save_cis end subroutine save_cis do i = 1, n_state_cis print*,'' print*,'eigenvalues_CIS(i) = ',eigenvalues_CIS(i)+nuclear_repulsion print*,'s2 = ',s_2_CIS(i) enddo call save_wavefunction_general(size_psi_CIS,n_state_cis,psi_CIS,coefs_CIS) end