program diagonalize_h implicit none BEGIN_DOC ! Program that extracts the :option:`determinants n_states` lowest states of the Hamiltonian within the set of Slater determinants stored in the EZFIO folder. ! ! If :option:`determinants s2_eig` = True, it will retain only states ! ! which corresponds to the desired value of :option:`determinants expected_s2`. END_DOC read_wf = .True. touch read_wf call routine end subroutine routine implicit none call diagonalize_CI print*,'N_det = ',N_det call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) end