qimpy.dft.ions.Ions =================== .. currentmodule:: qimpy.dft.ions .. autoclass:: Ions :members: :show-inheritance: .. automethod:: __init__ .. rubric:: Methods .. autosummary:: :nosignatures: ~Ions.__init__ ~Ions.accumulate_geometry_grad ~Ions.add_child ~Ions.add_child_one_of ~Ions.get_atomic_density ~Ions.get_atomic_orbital_index ~Ions.get_atomic_orbitals ~Ions.n_atomic_orbitals ~Ions.report ~Ions.save_checkpoint ~Ions.translation_phase ~Ions.update .. rubric:: Attributes .. autosummary:: ~Ions.forces ~Ions.labeled_positions ~Ions.n_orbital_projectors ~Ions.n_projectors ~Ions.n_replicas ~Ions.lattice ~Ions.fractional ~Ions.n_ions ~Ions.n_types ~Ions.n_ions_type ~Ions.symbols ~Ions.slices ~Ions.pseudopotentials ~Ions.positions ~Ions.velocities ~Ions.types ~Ions.Q ~Ions.M ~Ions.Z ~Ions.Z_tot ~Ions.rho_tilde ~Ions.Vloc_tilde ~Ions.n_core_tilde ~Ions.beta ~Ions.beta_full ~Ions.beta_version ~Ions.D_all ~Ions.dEtot_drho_basis ~Ions.child_names ~Ions.variant_name