pyiron\_atomistics.vasp.base.VaspBase
=====================================

.. currentmodule:: pyiron_atomistics.vasp.base

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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