pyiron\_atomistics.dft.job.generic.GenericDFTJob
================================================

.. currentmodule:: pyiron_atomistics.dft.job.generic

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~GenericDFTJob.__init__
      ~GenericDFTJob.animate_structure
      ~GenericDFTJob.animate_structures
      ~GenericDFTJob.calc_md
      ~GenericDFTJob.calc_minimize
      ~GenericDFTJob.calc_static
      ~GenericDFTJob.check_if_job_exists
      ~GenericDFTJob.check_setup
      ~GenericDFTJob.clear_job
      ~GenericDFTJob.collect_logfiles
      ~GenericDFTJob.collect_output
      ~GenericDFTJob.collect_structures
      ~GenericDFTJob.compress
      ~GenericDFTJob.continue_with_final_structure
      ~GenericDFTJob.continue_with_restart_files
      ~GenericDFTJob.convergence_check
      ~GenericDFTJob.copy
      ~GenericDFTJob.copy_file_to_working_directory
      ~GenericDFTJob.copy_template
      ~GenericDFTJob.copy_to
      ~GenericDFTJob.create_job
      ~GenericDFTJob.create_pipeline
      ~GenericDFTJob.db_entry
      ~GenericDFTJob.decompress
      ~GenericDFTJob.drop_status_to_aborted
      ~GenericDFTJob.from_dict
      ~GenericDFTJob.from_hdf
      ~GenericDFTJob.from_hdf_args
      ~GenericDFTJob.get
      ~GenericDFTJob.get_bader_charges
      ~GenericDFTJob.get_bader_volumes
      ~GenericDFTJob.get_calculate_function
      ~GenericDFTJob.get_density_of_states
      ~GenericDFTJob.get_electronic_structure
      ~GenericDFTJob.get_encut
      ~GenericDFTJob.get_final_structure
      ~GenericDFTJob.get_from_table
      ~GenericDFTJob.get_input_parameter_dict
      ~GenericDFTJob.get_job_id
      ~GenericDFTJob.get_k_mesh_by_cell
      ~GenericDFTJob.get_kpoints
      ~GenericDFTJob.get_magnetic_moments
      ~GenericDFTJob.get_neighbors
      ~GenericDFTJob.get_neighbors_snapshots
      ~GenericDFTJob.get_output_parameter_dict
      ~GenericDFTJob.get_structure
      ~GenericDFTJob.get_valence_and_total_charge_density
      ~GenericDFTJob.get_workdir_file
      ~GenericDFTJob.gui
      ~GenericDFTJob.inspect
      ~GenericDFTJob.instantiate
      ~GenericDFTJob.interactive_close
      ~GenericDFTJob.interactive_fetch
      ~GenericDFTJob.interactive_flush
      ~GenericDFTJob.is_compressed
      ~GenericDFTJob.is_master_id
      ~GenericDFTJob.is_self_archived
      ~GenericDFTJob.iter_structures
      ~GenericDFTJob.job_file_name
      ~GenericDFTJob.kill
      ~GenericDFTJob.list_all
      ~GenericDFTJob.list_childs
      ~GenericDFTJob.list_files
      ~GenericDFTJob.list_groups
      ~GenericDFTJob.list_nodes
      ~GenericDFTJob.load
      ~GenericDFTJob.map
      ~GenericDFTJob.modify_kpoints
      ~GenericDFTJob.move_to
      ~GenericDFTJob.nbands_convergence_check
      ~GenericDFTJob.refresh_job_status
      ~GenericDFTJob.relocate_hdf5
      ~GenericDFTJob.remove
      ~GenericDFTJob.remove_and_reset_id
      ~GenericDFTJob.remove_child
      ~GenericDFTJob.rename
      ~GenericDFTJob.reset_job_id
      ~GenericDFTJob.restart
      ~GenericDFTJob.restart_for_band_structure_calculations
      ~GenericDFTJob.run
      ~GenericDFTJob.run_if_interactive
      ~GenericDFTJob.run_if_interactive_non_modal
      ~GenericDFTJob.run_if_modal
      ~GenericDFTJob.run_if_refresh
      ~GenericDFTJob.run_if_scheduler
      ~GenericDFTJob.run_static
      ~GenericDFTJob.run_time_to_db
      ~GenericDFTJob.save
      ~GenericDFTJob.save_output
      ~GenericDFTJob.self_archive
      ~GenericDFTJob.self_unarchive
      ~GenericDFTJob.set_empty_states
      ~GenericDFTJob.set_encut
      ~GenericDFTJob.set_exchange_correlation_functional
      ~GenericDFTJob.set_input_to_read_only
      ~GenericDFTJob.set_kpoints
      ~GenericDFTJob.set_mixing_parameters
      ~GenericDFTJob.show_hdf
      ~GenericDFTJob.signal_intercept
      ~GenericDFTJob.store_structure
      ~GenericDFTJob.suspend
      ~GenericDFTJob.to_dict
      ~GenericDFTJob.to_hdf
      ~GenericDFTJob.to_object
      ~GenericDFTJob.trajectory
      ~GenericDFTJob.transfer_from_remote
      ~GenericDFTJob.transform_structures
      ~GenericDFTJob.update_master
      ~GenericDFTJob.validate_ready_to_run
      ~GenericDFTJob.view_structure
      ~GenericDFTJob.write_input
      ~GenericDFTJob.write_traj
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~GenericDFTJob.calculate_kwargs
      ~GenericDFTJob.child_ids
      ~GenericDFTJob.content
      ~GenericDFTJob.database_entry
      ~GenericDFTJob.encut
      ~GenericDFTJob.exchange_correlation_functional
      ~GenericDFTJob.exclude_groups_hdf
      ~GenericDFTJob.exclude_nodes_hdf
      ~GenericDFTJob.executable
      ~GenericDFTJob.executor_type
      ~GenericDFTJob.files
      ~GenericDFTJob.files_to_compress
      ~GenericDFTJob.files_to_remove
      ~GenericDFTJob.fix_spin_constraint
      ~GenericDFTJob.fix_symmetry
      ~GenericDFTJob.id
      ~GenericDFTJob.job_id
      ~GenericDFTJob.job_info_str
      ~GenericDFTJob.job_name
      ~GenericDFTJob.job_type
      ~GenericDFTJob.k_mesh_center_shift
      ~GenericDFTJob.k_mesh_spacing
      ~GenericDFTJob.kpoint_mesh
      ~GenericDFTJob.logger
      ~GenericDFTJob.master_id
      ~GenericDFTJob.name
      ~GenericDFTJob.number_of_structures
      ~GenericDFTJob.parent_id
      ~GenericDFTJob.path
      ~GenericDFTJob.plane_wave_cutoff
      ~GenericDFTJob.project
      ~GenericDFTJob.project_hdf5
      ~GenericDFTJob.queue_id
      ~GenericDFTJob.reduce_kpoint_symmetry
      ~GenericDFTJob.restart_file_dict
      ~GenericDFTJob.restart_file_list
      ~GenericDFTJob.server
      ~GenericDFTJob.spin_constraints
      ~GenericDFTJob.status
      ~GenericDFTJob.structure
      ~GenericDFTJob.version
      ~GenericDFTJob.working_directory
      ~GenericDFTJob.xc