Index A | B | C | D | E | F | G | H | I | J | M | O | P | S | T | U | W A as_structure() (pengwann.geometry.Geometry method) assign_descriptors() (pengwann.descriptors.DescriptorCalculator method) AtomicInteraction (class in pengwann.interactions) AtomicInteractionContainer (class in pengwann.interactions) B bl_i (pengwann.interactions.WannierInteraction attribute) bl_j (pengwann.interactions.WannierInteraction attribute) C cell (pengwann.geometry.Geometry attribute) charge (pengwann.interactions.AtomicInteraction attribute) coords (pengwann.geometry.Site attribute) count() (pengwann.interactions.WannierInteraction method) D DescriptorCalculator (class in pengwann.descriptors) distance_and_image_matrices (pengwann.geometry.Geometry property) dos_matrix (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction attribute) E energies (pengwann.descriptors.DescriptorCalculator property) F filter_by_species() (pengwann.interactions.AtomicInteractionContainer method) from_eigenvalues() (pengwann.descriptors.DescriptorCalculator class method) from_xyz() (pengwann.geometry.Geometry class method) G Geometry (class in pengwann.geometry) geometry.identify_interatomic_interactions() (in module pengwann) geometry.identify_onsite_interactions() (in module pengwann) get_coefficient_matrix() (pengwann.descriptors.DescriptorCalculator method) get_density_matrix_element() (pengwann.descriptors.DescriptorCalculator method) get_dos_matrix() (pengwann.descriptors.DescriptorCalculator method) H h_ij (pengwann.interactions.WannierInteraction attribute) I i (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction attribute) index (pengwann.geometry.Site attribute) index() (pengwann.interactions.WannierInteraction method) io.read() (in module pengwann) io.read_cell() (in module pengwann) io.read_eigenvalues() (in module pengwann) io.read_hamiltonian() (in module pengwann) io.read_u() (in module pengwann) io.read_xyz() (in module pengwann) iwobi (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction attribute) iwohp (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction attribute) J j (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction attribute) M module pengwann.descriptors pengwann.geometry pengwann.interactions pengwann.io pengwann.occupations pengwann.utils O occupations.cold() (in module pengwann) occupations.fermi_dirac() (in module pengwann) occupations.fixed() (in module pengwann) occupations.gaussian() (in module pengwann) occupations.get_occupation_matrix() (in module pengwann) P p_ij (pengwann.interactions.WannierInteraction attribute) parallelise() (pengwann.descriptors.DescriptorCalculator method) pengwann.descriptors module pengwann.geometry module pengwann.interactions module pengwann.io module pengwann.occupations module pengwann.utils module population (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction attribute) S Site (class in pengwann.geometry) sites (pengwann.geometry.Geometry attribute) sub_interactions (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.AtomicInteractionContainer attribute) symbol (pengwann.geometry.Site attribute) symbol_i (pengwann.interactions.AtomicInteraction attribute) symbol_j (pengwann.interactions.AtomicInteraction attribute) T tag (pengwann.interactions.AtomicInteraction property) (pengwann.interactions.WannierInteraction property) U utils.allocate_shared_memory() (in module pengwann) utils.get_spilling_factor() (in module pengwann) utils.integrate_descriptor() (in module pengwann) W wannier_assignments (pengwann.geometry.Geometry property) WannierInteraction (class in pengwann.interactions) with_integrals() (pengwann.interactions.AtomicInteraction method) (pengwann.interactions.AtomicInteractionContainer method) (pengwann.interactions.WannierInteraction method) with_summed_descriptors() (pengwann.interactions.AtomicInteraction method) wobi (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction property) wohp (pengwann.interactions.AtomicInteraction attribute) (pengwann.interactions.WannierInteraction property)
