qimpy.dft.electrons.Electrons ============================= .. currentmodule:: qimpy.dft.electrons .. autoclass:: Electrons :members: :show-inheritance: .. automethod:: __init__ .. rubric:: Methods .. autosummary:: :nosignatures: ~Electrons.__init__ ~Electrons.accumulate_geometry_grad ~Electrons.add_child ~Electrons.add_child_one_of ~Electrons.hamiltonian ~Electrons.initialize_fixed_hamiltonian ~Electrons.initialize_wavefunctions ~Electrons.run ~Electrons.save_checkpoint ~Electrons.update ~Electrons.update_density ~Electrons.update_potential .. rubric:: Attributes .. autosummary:: ~Electrons.n_densities ~Electrons.need_full_projectors ~Electrons.comm ~Electrons.kpoints ~Electrons.spin_polarized ~Electrons.spinorial ~Electrons.n_spins ~Electrons.n_spinor ~Electrons.w_spin ~Electrons.fillings ~Electrons.basis ~Electrons.xc ~Electrons.diagonalize ~Electrons.scf ~Electrons.C ~Electrons.fixed_H ~Electrons.save_wavefunction ~Electrons.lcao ~Electrons.eig ~Electrons.deig_max ~Electrons.n_tilde ~Electrons.tau_tilde ~Electrons.child_names ~Electrons.variant_name