pyiron\_atomistics.gpaw.pyiron\_ase.AseJob
==========================================

.. currentmodule:: pyiron_atomistics.gpaw.pyiron_ase

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~AseJob.__init__
      ~AseJob.animate_structure
      ~AseJob.animate_structures
      ~AseJob.calc_md
      ~AseJob.calc_minimize
      ~AseJob.calc_static
      ~AseJob.check_if_job_exists
      ~AseJob.check_setup
      ~AseJob.clear_job
      ~AseJob.collect_logfiles
      ~AseJob.collect_output
      ~AseJob.collect_structures
      ~AseJob.compress
      ~AseJob.continue_with_final_structure
      ~AseJob.continue_with_restart_files
      ~AseJob.convergence_check
      ~AseJob.copy
      ~AseJob.copy_file_to_working_directory
      ~AseJob.copy_template
      ~AseJob.copy_to
      ~AseJob.create_job
      ~AseJob.create_pipeline
      ~AseJob.db_entry
      ~AseJob.decompress
      ~AseJob.drop_status_to_aborted
      ~AseJob.from_dict
      ~AseJob.from_hdf
      ~AseJob.from_hdf_args
      ~AseJob.get
      ~AseJob.get_calculate_function
      ~AseJob.get_final_structure
      ~AseJob.get_from_table
      ~AseJob.get_input_parameter_dict
      ~AseJob.get_job_id
      ~AseJob.get_neighbors
      ~AseJob.get_neighbors_snapshots
      ~AseJob.get_output_parameter_dict
      ~AseJob.get_structure
      ~AseJob.get_workdir_file
      ~AseJob.gui
      ~AseJob.inspect
      ~AseJob.instantiate
      ~AseJob.interactive_atom_spin_constraints_getter
      ~AseJob.interactive_atom_spins_getter
      ~AseJob.interactive_cell_organizer
      ~AseJob.interactive_cells_getter
      ~AseJob.interactive_cells_setter
      ~AseJob.interactive_close
      ~AseJob.interactive_collect
      ~AseJob.interactive_computation_time_getter
      ~AseJob.interactive_energy_pot_getter
      ~AseJob.interactive_energy_tot_getter
      ~AseJob.interactive_fetch
      ~AseJob.interactive_flush
      ~AseJob.interactive_forces_getter
      ~AseJob.interactive_index_organizer
      ~AseJob.interactive_indices_getter
      ~AseJob.interactive_indices_setter
      ~AseJob.interactive_initialize_interface
      ~AseJob.interactive_is_activated
      ~AseJob.interactive_magmom_organizer
      ~AseJob.interactive_magnetic_forces_getter
      ~AseJob.interactive_open
      ~AseJob.interactive_positions_getter
      ~AseJob.interactive_positions_organizer
      ~AseJob.interactive_positions_setter
      ~AseJob.interactive_pressures_getter
      ~AseJob.interactive_spin_constraints_getter
      ~AseJob.interactive_spin_constraints_setter
      ~AseJob.interactive_spins_getter
      ~AseJob.interactive_steps_getter
      ~AseJob.interactive_store_in_cache
      ~AseJob.interactive_stress_getter
      ~AseJob.interactive_structure_setter
      ~AseJob.interactive_temperatures_getter
      ~AseJob.interactive_time_getter
      ~AseJob.interactive_unwrapped_positions_getter
      ~AseJob.interactive_volume_getter
      ~AseJob.is_compressed
      ~AseJob.is_master_id
      ~AseJob.is_self_archived
      ~AseJob.iter_structures
      ~AseJob.job_file_name
      ~AseJob.kill
      ~AseJob.list_all
      ~AseJob.list_childs
      ~AseJob.list_files
      ~AseJob.list_groups
      ~AseJob.list_nodes
      ~AseJob.load
      ~AseJob.map
      ~AseJob.move_to
      ~AseJob.refresh_job_status
      ~AseJob.relocate_hdf5
      ~AseJob.remove
      ~AseJob.remove_and_reset_id
      ~AseJob.remove_child
      ~AseJob.rename
      ~AseJob.reset_job_id
      ~AseJob.restart
      ~AseJob.run
      ~AseJob.run_if_interactive
      ~AseJob.run_if_interactive_non_modal
      ~AseJob.run_if_modal
      ~AseJob.run_if_refresh
      ~AseJob.run_if_scheduler
      ~AseJob.run_static
      ~AseJob.run_time_to_db
      ~AseJob.save
      ~AseJob.save_output
      ~AseJob.self_archive
      ~AseJob.self_unarchive
      ~AseJob.set_calculator
      ~AseJob.set_input_to_read_only
      ~AseJob.show_hdf
      ~AseJob.signal_intercept
      ~AseJob.species_from_hdf
      ~AseJob.store_structure
      ~AseJob.suspend
      ~AseJob.to_dict
      ~AseJob.to_hdf
      ~AseJob.to_object
      ~AseJob.trajectory
      ~AseJob.transfer_from_remote
      ~AseJob.transform_structures
      ~AseJob.update_master
      ~AseJob.validate_ready_to_run
      ~AseJob.view_structure
      ~AseJob.write_input
      ~AseJob.write_traj
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~AseJob.calculate_kwargs
      ~AseJob.child_ids
      ~AseJob.content
      ~AseJob.current_structure
      ~AseJob.database_entry
      ~AseJob.exclude_groups_hdf
      ~AseJob.exclude_nodes_hdf
      ~AseJob.executable
      ~AseJob.executor_type
      ~AseJob.files
      ~AseJob.files_to_compress
      ~AseJob.files_to_remove
      ~AseJob.id
      ~AseJob.initial_structure
      ~AseJob.interactive_enforce_structure_reset
      ~AseJob.interactive_flush_frequency
      ~AseJob.interactive_write_frequency
      ~AseJob.job_id
      ~AseJob.job_info_str
      ~AseJob.job_name
      ~AseJob.job_type
      ~AseJob.logger
      ~AseJob.master_id
      ~AseJob.name
      ~AseJob.number_of_structures
      ~AseJob.parent_id
      ~AseJob.path
      ~AseJob.project
      ~AseJob.project_hdf5
      ~AseJob.queue_id
      ~AseJob.restart_file_dict
      ~AseJob.restart_file_list
      ~AseJob.server
      ~AseJob.status
      ~AseJob.structure
      ~AseJob.version
      ~AseJob.working_directory