Index _ | A | B | C | D | E | F | G | I | K | L | M | N | O | P | R | S | T | V | W _ __init__() (vaspparser.dft.bader.Bader method) (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.dft.waves.dos.Dos method) (vaspparser.dft.waves.electronic.Band method) (vaspparser.dft.waves.electronic.ElectronicStructure method) (vaspparser.dft.waves.electronic.Kpoint method) (vaspparser.vasp.output.GenericOutput method) (vaspparser.vasp.output.Output method) (vaspparser.vasp.parser.oszicar.Oszicar method) (vaspparser.vasp.parser.outcar.Outcar method) (vaspparser.vasp.parser.report.Report method) (vaspparser.vasp.procar.Procar method) (vaspparser.vasp.vasprun.Vasprun method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) A add_band() (vaspparser.dft.waves.electronic.Kpoint method) add_kpoint() (vaspparser.dft.waves.electronic.ElectronicStructure method) atoms (vaspparser.dft.volumetric.VolumetricData property) (vaspparser.vasp.volumetric_data.VaspVolumetricData property) atoms_from_string() (in module vaspparser.vasp.structure) B Bader (class in vaspparser.dft.bader) Band (class in vaspparser.dft.waves.electronic) bands (vaspparser.dft.waves.electronic.Kpoint attribute) (vaspparser.vasp.output.GenericOutput property) C call_bader() (in module vaspparser.dft.bader) cbm (vaspparser.dft.waves.electronic.ElectronicStructure property) charge_density (vaspparser.vasp.output.Output attribute) clean_character() (in module vaspparser.vasp.vasprun) clean_key() (in module vaspparser.vasp.vasprun) collect() (vaspparser.vasp.output.Output method) compute_bader_charges() (vaspparser.dft.bader.Bader method) cylindrical_average_potential() (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) D diff_data (vaspparser.vasp.volumetric_data.VaspVolumetricData property) dist_between_two_grid_points() (vaspparser.dft.volumetric.VolumetricData static method) (vaspparser.vasp.volumetric_data.VaspVolumetricData static method) dist_between_two_grid_points_cyl() (vaspparser.dft.volumetric.VolumetricData static method) (vaspparser.vasp.volumetric_data.VaspVolumetricData static method) Dos (class in vaspparser.dft.waves.dos) dos_densities (vaspparser.dft.waves.electronic.ElectronicStructure property) dos_energies (vaspparser.dft.waves.electronic.ElectronicStructure property) dos_idensities (vaspparser.dft.waves.electronic.ElectronicStructure property) E efermi (vaspparser.dft.waves.electronic.ElectronicStructure property) eg (vaspparser.dft.waves.electronic.ElectronicStructure property) eig_occ_matrix (vaspparser.dft.waves.electronic.Kpoint attribute) (vaspparser.dft.waves.electronic.Kpoint property) eigenvalue (vaspparser.dft.waves.electronic.Band property) eigenvalue_matrix (vaspparser.dft.waves.electronic.ElectronicStructure property) eigenvalues (vaspparser.dft.waves.electronic.ElectronicStructure property) electronic_structure (vaspparser.vasp.output.Output attribute) ElectronicStructure (class in vaspparser.dft.waves.electronic) electrostatic_potential (vaspparser.vasp.output.Output attribute) F from_file() (vaspparser.vasp.parser.oszicar.Oszicar method) (vaspparser.vasp.parser.outcar.Outcar method) (vaspparser.vasp.parser.report.Report method) (vaspparser.vasp.procar.Procar method) (vaspparser.vasp.vasprun.Vasprun method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) G gauss_f() (vaspparser.dft.volumetric.VolumetricData static method) (vaspparser.vasp.volumetric_data.VaspVolumetricData static method) generate_from_matrices() (vaspparser.dft.waves.electronic.ElectronicStructure method) GenericOutput (class in vaspparser.vasp.output) get_all_total_energies() (vaspparser.vasp.parser.outcar.Outcar static method) get_average_along_axis() (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) get_band_gap() (vaspparser.dft.waves.electronic.ElectronicStructure method) get_band_properties() (vaspparser.vasp.parser.outcar.Outcar static method) get_broyden_mixing_mesh() (vaspparser.vasp.parser.outcar.Outcar static method) get_cbm() (vaspparser.dft.waves.electronic.ElectronicStructure method) get_cells() (vaspparser.vasp.parser.outcar.Outcar method) get_cpu_time() (vaspparser.vasp.parser.outcar.Outcar static method) get_dipole_moments() (vaspparser.vasp.parser.outcar.Outcar static method) get_dos() (vaspparser.dft.waves.electronic.ElectronicStructure method) get_ediel_sol() (vaspparser.vasp.parser.outcar.Outcar static method) get_elapsed_time() (vaspparser.vasp.parser.outcar.Outcar static method) get_elastic_constants() (vaspparser.vasp.parser.outcar.Outcar static method) get_electronic_structure() (vaspparser.vasp.vasprun.Vasprun method) get_energy_components() (vaspparser.vasp.parser.outcar.Outcar static method) get_energy_pot() (vaspparser.vasp.parser.oszicar.Oszicar static method) get_energy_sigma_0() (vaspparser.vasp.parser.outcar.Outcar static method) get_energy_without_entropy() (vaspparser.vasp.parser.outcar.Outcar static method) get_fermi_level() (vaspparser.vasp.parser.outcar.Outcar static method) get_final_structure() (vaspparser.vasp.vasprun.Vasprun method) get_final_structure_from_file() (in module vaspparser.vasp.output) get_float_with_exception() (in module vaspparser.vasp.vasprun) get_forces() (vaspparser.vasp.parser.outcar.Outcar method) get_initial_structure() (vaspparser.vasp.vasprun.Vasprun method) get_irreducible_kpoints() (vaspparser.vasp.parser.outcar.Outcar static method) get_kinetic_energy_error() (vaspparser.vasp.parser.outcar.Outcar static method) get_magnetization() (vaspparser.vasp.parser.outcar.Outcar static method) get_memory_used() (vaspparser.vasp.parser.outcar.Outcar static method) get_nelect() (vaspparser.vasp.parser.outcar.Outcar static method) get_number_of_atoms() (vaspparser.vasp.parser.outcar.Outcar static method) get_number_species_atoms() (in module vaspparser.vasp.structure) get_orbital_resolved_dos() (vaspparser.dft.waves.dos.Dos method) get_poscar_content() (in module vaspparser.vasp.structure) get_positions() (vaspparser.vasp.parser.outcar.Outcar method) get_positions_and_forces() (vaspparser.vasp.parser.outcar.Outcar method) get_potentiostat_output() (vaspparser.vasp.vasprun.Vasprun method) get_resolved_dos() (vaspparser.dft.waves.electronic.ElectronicStructure method) get_spatial_orbital_resolved_dos() (vaspparser.dft.waves.dos.Dos method) get_spatially_resolved_dos() (vaspparser.dft.waves.dos.Dos method) get_species_list_from_potcar() (in module vaspparser.vasp.structure) get_spin_resolved_dos() (vaspparser.dft.waves.dos.Dos method) (vaspparser.dft.waves.electronic.ElectronicStructure method) get_steps() (vaspparser.vasp.parser.outcar.Outcar static method) get_stresses() (vaspparser.vasp.parser.outcar.Outcar static method) get_system_time() (vaspparser.vasp.parser.outcar.Outcar static method) get_temperatures() (vaspparser.vasp.parser.outcar.Outcar static method) get_time() (vaspparser.vasp.parser.outcar.Outcar method) get_total_energies() (vaspparser.vasp.parser.outcar.Outcar static method) get_user_time() (vaspparser.vasp.parser.outcar.Outcar static method) get_valence_and_total_charge_density() (in module vaspparser.dft.bader) get_valence_electrons_per_atom() (vaspparser.vasp.vasprun.Vasprun method) get_vasp_version() (vaspparser.vasp.parser.outcar.Outcar method) get_vbm() (vaspparser.dft.waves.electronic.ElectronicStructure method) grand_dos_matrix (vaspparser.dft.waves.electronic.ElectronicStructure property) I is_metal (vaspparser.dft.waves.electronic.ElectronicStructure property) K Kpoint (class in vaspparser.dft.waves.electronic) kpoint_list (vaspparser.dft.waves.electronic.ElectronicStructure property) kpoint_weights (vaspparser.dft.waves.electronic.ElectronicStructure property) L log_dict (vaspparser.vasp.output.GenericOutput attribute) M manip_contcar() (in module vaspparser.vasp.structure) module vaspparser vaspparser.dft vaspparser.dft.bader vaspparser.dft.volumetric vaspparser.dft.waves vaspparser.dft.waves.dos vaspparser.dft.waves.electronic vaspparser.vasp vaspparser.vasp.output vaspparser.vasp.parser vaspparser.vasp.parser.oszicar vaspparser.vasp.parser.outcar vaspparser.vasp.parser.report vaspparser.vasp.procar vaspparser.vasp.structure vaspparser.vasp.vasprun vaspparser.vasp.volumetric_data N NoResolvedDosError O occupancies (vaspparser.dft.waves.electronic.ElectronicStructure property) occupancy (vaspparser.dft.waves.electronic.Band property) occupancy_matrix (vaspparser.dft.waves.electronic.ElectronicStructure property) orbital_dict (vaspparser.dft.waves.electronic.ElectronicStructure property) Oszicar (class in vaspparser.vasp.parser.oszicar) Outcar (class in vaspparser.vasp.parser.outcar) OutcarCollectError Output (class in vaspparser.vasp.output) P parse_atom_information_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_calc_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_cce_to_dict() (vaspparser.vasp.vasprun.Vasprun static method) parse_charge_vol_file() (in module vaspparser.dft.bader) parse_dict (vaspparser.vasp.parser.oszicar.Oszicar attribute) (vaspparser.vasp.parser.outcar.Outcar attribute) parse_eigenvalues_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_fermi_level_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_item_to_dict() (vaspparser.vasp.vasprun.Vasprun static method) parse_kpoints_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_parameters() (vaspparser.vasp.vasprun.Vasprun method) parse_partial_dos_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_projected_dos_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_recursively() (vaspparser.vasp.vasprun.Vasprun method) parse_root_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_scf() (vaspparser.vasp.vasprun.Vasprun method) parse_structure_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_total_dos_to_dict() (vaspparser.vasp.vasprun.Vasprun method) parse_vasp_output() (in module vaspparser.vasp.output) plot_fermi_dirac() (vaspparser.dft.waves.electronic.ElectronicStructure method) plot_orbital_resolved_dos() (vaspparser.dft.waves.dos.Dos method) plot_total_dos() (vaspparser.dft.waves.dos.Dos method) Procar (class in vaspparser.vasp.procar) R read_atoms() (in module vaspparser.vasp.structure) read_cube_file() (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) Report (class in vaspparser.vasp.parser.report) resolved_densities (vaspparser.dft.waves.electronic.ElectronicStructure property) resolved_dos_matrix (vaspparser.dft.waves.electronic.Band property) S spherical_average_potential() (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) structure (vaspparser.dft.waves.electronic.ElectronicStructure property) (vaspparser.vasp.output.Output property) T to_dict() (vaspparser.dft.waves.electronic.ElectronicStructure method) (vaspparser.vasp.output.GenericOutput method) (vaspparser.vasp.output.Output method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) to_dict_minimal() (vaspparser.vasp.parser.outcar.Outcar method) total_data (vaspparser.dft.volumetric.VolumetricData attribute) (vaspparser.dft.volumetric.VolumetricData property) (vaspparser.vasp.volumetric_data.VaspVolumetricData property) V value (vaspparser.dft.waves.electronic.Kpoint attribute) (vaspparser.dft.waves.electronic.Kpoint property) vasp_sorter() (in module vaspparser.vasp.structure) VaspCollectError vaspparser module vaspparser.dft module vaspparser.dft.bader module vaspparser.dft.volumetric module vaspparser.dft.waves module vaspparser.dft.waves.dos module vaspparser.dft.waves.electronic module vaspparser.vasp module vaspparser.vasp.output module vaspparser.vasp.parser module vaspparser.vasp.parser.oszicar module vaspparser.vasp.parser.outcar module vaspparser.vasp.parser.report module vaspparser.vasp.procar module vaspparser.vasp.structure module vaspparser.vasp.vasprun module vaspparser.vasp.volumetric_data module Vasprun (class in vaspparser.vasp.vasprun) vasprun_dict (vaspparser.vasp.vasprun.Vasprun attribute) VasprunError VasprunWarning VaspVolumetricData (class in vaspparser.vasp.volumetric_data) vbm (vaspparser.dft.waves.electronic.ElectronicStructure property) VolumetricData (class in vaspparser.dft.volumetric) W weight (vaspparser.dft.waves.electronic.Kpoint attribute) (vaspparser.dft.waves.electronic.Kpoint property) write_cube_file() (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method) write_poscar() (in module vaspparser.vasp.structure) write_vasp_volumetric() (vaspparser.dft.volumetric.VolumetricData method) (vaspparser.vasp.volumetric_data.VaspVolumetricData method)