pyiron\_atomistics.vasp.interactive.VaspInteractive
===================================================

.. currentmodule:: pyiron_atomistics.vasp.interactive

.. autoclass:: VaspInteractive
   :members:
   :show-inheritance:
   :inherited-members:

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~VaspInteractive.__init__
      ~VaspInteractive.animate_structure
      ~VaspInteractive.animate_structures
      ~VaspInteractive.append_charge_density
      ~VaspInteractive.append_wave_function
      ~VaspInteractive.calc_md
      ~VaspInteractive.calc_minimize
      ~VaspInteractive.calc_static
      ~VaspInteractive.check_if_job_exists
      ~VaspInteractive.check_setup
      ~VaspInteractive.cleanup
      ~VaspInteractive.clear_job
      ~VaspInteractive.collect_errors
      ~VaspInteractive.collect_logfiles
      ~VaspInteractive.collect_output
      ~VaspInteractive.collect_structures
      ~VaspInteractive.collect_warnings
      ~VaspInteractive.compress
      ~VaspInteractive.continue_with_final_structure
      ~VaspInteractive.continue_with_restart_files
      ~VaspInteractive.convergence_check
      ~VaspInteractive.copy
      ~VaspInteractive.copy_file_to_working_directory
      ~VaspInteractive.copy_hamiltonian
      ~VaspInteractive.copy_template
      ~VaspInteractive.copy_to
      ~VaspInteractive.create_job
      ~VaspInteractive.create_pipeline
      ~VaspInteractive.db_entry
      ~VaspInteractive.decompress
      ~VaspInteractive.drop_status_to_aborted
      ~VaspInteractive.from_dict
      ~VaspInteractive.from_directory
      ~VaspInteractive.from_hdf
      ~VaspInteractive.from_hdf_args
      ~VaspInteractive.get
      ~VaspInteractive.get_bader_charges
      ~VaspInteractive.get_bader_volumes
      ~VaspInteractive.get_calculate_function
      ~VaspInteractive.get_charge_density
      ~VaspInteractive.get_density_of_states
      ~VaspInteractive.get_eddrmm_handling
      ~VaspInteractive.get_electronic_structure
      ~VaspInteractive.get_electrostatic_potential
      ~VaspInteractive.get_encut
      ~VaspInteractive.get_final_structure
      ~VaspInteractive.get_final_structure_from_file
      ~VaspInteractive.get_from_table
      ~VaspInteractive.get_icharg_value
      ~VaspInteractive.get_input_parameter_dict
      ~VaspInteractive.get_job_id
      ~VaspInteractive.get_k_mesh_by_cell
      ~VaspInteractive.get_kpoints
      ~VaspInteractive.get_magnetic_moments
      ~VaspInteractive.get_neighbors
      ~VaspInteractive.get_neighbors_snapshots
      ~VaspInteractive.get_nelect
      ~VaspInteractive.get_output_parameter_dict
      ~VaspInteractive.get_rwigs
      ~VaspInteractive.get_structure
      ~VaspInteractive.get_valence_and_total_charge_density
      ~VaspInteractive.get_workdir_file
      ~VaspInteractive.gui
      ~VaspInteractive.inspect
      ~VaspInteractive.instantiate
      ~VaspInteractive.interactive_atom_spin_constraints_getter
      ~VaspInteractive.interactive_atom_spins_getter
      ~VaspInteractive.interactive_cell_organizer
      ~VaspInteractive.interactive_cells_getter
      ~VaspInteractive.interactive_cells_setter
      ~VaspInteractive.interactive_close
      ~VaspInteractive.interactive_collect
      ~VaspInteractive.interactive_computation_time_getter
      ~VaspInteractive.interactive_energy_pot_getter
      ~VaspInteractive.interactive_energy_tot_getter
      ~VaspInteractive.interactive_fetch
      ~VaspInteractive.interactive_flush
      ~VaspInteractive.interactive_forces_getter
      ~VaspInteractive.interactive_index_organizer
      ~VaspInteractive.interactive_indices_getter
      ~VaspInteractive.interactive_indices_setter
      ~VaspInteractive.interactive_initialize_interface
      ~VaspInteractive.interactive_is_activated
      ~VaspInteractive.interactive_magmom_organizer
      ~VaspInteractive.interactive_magnetic_forces_getter
      ~VaspInteractive.interactive_open
      ~VaspInteractive.interactive_positions_getter
      ~VaspInteractive.interactive_positions_organizer
      ~VaspInteractive.interactive_positions_setter
      ~VaspInteractive.interactive_prepare
      ~VaspInteractive.interactive_pressures_getter
      ~VaspInteractive.interactive_spin_constraints_getter
      ~VaspInteractive.interactive_spin_constraints_setter
      ~VaspInteractive.interactive_spins_getter
      ~VaspInteractive.interactive_steps_getter
      ~VaspInteractive.interactive_store_in_cache
      ~VaspInteractive.interactive_stress_getter
      ~VaspInteractive.interactive_structure_setter
      ~VaspInteractive.interactive_temperatures_getter
      ~VaspInteractive.interactive_time_getter
      ~VaspInteractive.interactive_unwrapped_positions_getter
      ~VaspInteractive.interactive_volume_getter
      ~VaspInteractive.is_compressed
      ~VaspInteractive.is_master_id
      ~VaspInteractive.is_self_archived
      ~VaspInteractive.iter_structures
      ~VaspInteractive.job_file_name
      ~VaspInteractive.kill
      ~VaspInteractive.list_all
      ~VaspInteractive.list_childs
      ~VaspInteractive.list_files
      ~VaspInteractive.list_groups
      ~VaspInteractive.list_nodes
      ~VaspInteractive.list_potentials
      ~VaspInteractive.load
      ~VaspInteractive.map
      ~VaspInteractive.modify_kpoints
      ~VaspInteractive.move_to
      ~VaspInteractive.nbands_convergence_check
      ~VaspInteractive.refresh_job_status
      ~VaspInteractive.relocate_hdf5
      ~VaspInteractive.remove
      ~VaspInteractive.remove_and_reset_id
      ~VaspInteractive.remove_child
      ~VaspInteractive.rename
      ~VaspInteractive.reset_job_id
      ~VaspInteractive.reset_output
      ~VaspInteractive.restart
      ~VaspInteractive.restart_for_band_structure_calculations
      ~VaspInteractive.restart_from_charge_density
      ~VaspInteractive.restart_from_wave_and_charge
      ~VaspInteractive.restart_from_wave_functions
      ~VaspInteractive.run
      ~VaspInteractive.run_if_interactive
      ~VaspInteractive.run_if_interactive_non_modal
      ~VaspInteractive.run_if_modal
      ~VaspInteractive.run_if_refresh
      ~VaspInteractive.run_if_scheduler
      ~VaspInteractive.run_static
      ~VaspInteractive.run_time_to_db
      ~VaspInteractive.save
      ~VaspInteractive.save_output
      ~VaspInteractive.self_archive
      ~VaspInteractive.self_unarchive
      ~VaspInteractive.set_algorithm
      ~VaspInteractive.set_convergence_precision
      ~VaspInteractive.set_coulomb_interactions
      ~VaspInteractive.set_dipole_correction
      ~VaspInteractive.set_eddrmm_handling
      ~VaspInteractive.set_electric_field
      ~VaspInteractive.set_empty_states
      ~VaspInteractive.set_encut
      ~VaspInteractive.set_exchange_correlation_functional
      ~VaspInteractive.set_fft_mesh
      ~VaspInteractive.set_for_band_structure_calc
      ~VaspInteractive.set_input_to_read_only
      ~VaspInteractive.set_kpoints
      ~VaspInteractive.set_mixing_parameters
      ~VaspInteractive.set_occupancy_smearing
      ~VaspInteractive.set_rwigs
      ~VaspInteractive.set_spin_constraint
      ~VaspInteractive.show_hdf
      ~VaspInteractive.signal_intercept
      ~VaspInteractive.species_from_hdf
      ~VaspInteractive.stop_calculation
      ~VaspInteractive.store_structure
      ~VaspInteractive.suspend
      ~VaspInteractive.to_dict
      ~VaspInteractive.to_hdf
      ~VaspInteractive.to_object
      ~VaspInteractive.trajectory
      ~VaspInteractive.transfer_from_remote
      ~VaspInteractive.transform_structures
      ~VaspInteractive.update_master
      ~VaspInteractive.validate_ready_to_run
      ~VaspInteractive.view_structure
      ~VaspInteractive.write_input
      ~VaspInteractive.write_magmoms
      ~VaspInteractive.write_traj
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~VaspInteractive.calculate_kwargs
      ~VaspInteractive.child_ids
      ~VaspInteractive.content
      ~VaspInteractive.current_structure
      ~VaspInteractive.database_entry
      ~VaspInteractive.encut
      ~VaspInteractive.exchange_correlation_functional
      ~VaspInteractive.exclude_groups_hdf
      ~VaspInteractive.exclude_nodes_hdf
      ~VaspInteractive.executable
      ~VaspInteractive.executor_type
      ~VaspInteractive.files
      ~VaspInteractive.files_to_compress
      ~VaspInteractive.files_to_remove
      ~VaspInteractive.fix_spin_constraint
      ~VaspInteractive.fix_symmetry
      ~VaspInteractive.id
      ~VaspInteractive.initial_structure
      ~VaspInteractive.interactive_enforce_structure_reset
      ~VaspInteractive.interactive_flush_frequency
      ~VaspInteractive.interactive_write_frequency
      ~VaspInteractive.job_id
      ~VaspInteractive.job_info_str
      ~VaspInteractive.job_name
      ~VaspInteractive.job_type
      ~VaspInteractive.k_mesh_center_shift
      ~VaspInteractive.k_mesh_spacing
      ~VaspInteractive.kpoint_mesh
      ~VaspInteractive.logger
      ~VaspInteractive.master_id
      ~VaspInteractive.name
      ~VaspInteractive.number_of_structures
      ~VaspInteractive.parent_id
      ~VaspInteractive.path
      ~VaspInteractive.plane_wave_cutoff
      ~VaspInteractive.potential
      ~VaspInteractive.potential_available
      ~VaspInteractive.potential_list
      ~VaspInteractive.potential_view
      ~VaspInteractive.project
      ~VaspInteractive.project_hdf5
      ~VaspInteractive.publication
      ~VaspInteractive.queue_id
      ~VaspInteractive.reduce_kpoint_symmetry
      ~VaspInteractive.restart_file_dict
      ~VaspInteractive.restart_file_list
      ~VaspInteractive.server
      ~VaspInteractive.sorted_indices
      ~VaspInteractive.spin_constraints
      ~VaspInteractive.status
      ~VaspInteractive.structure
      ~VaspInteractive.version
      ~VaspInteractive.working_directory
      ~VaspInteractive.write_charge_density
      ~VaspInteractive.write_electrostatic_potential
      ~VaspInteractive.write_resolved_dos
      ~VaspInteractive.write_wave_funct
      ~VaspInteractive.xc