pyiron\_atomistics.atomistics.master.sqsmaster.SQSMaster
========================================================

.. currentmodule:: pyiron_atomistics.atomistics.master.sqsmaster

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~SQSMaster.__init__
      ~SQSMaster.animate_structure
      ~SQSMaster.animate_structures
      ~SQSMaster.append
      ~SQSMaster.calc_md
      ~SQSMaster.calc_minimize
      ~SQSMaster.calc_static
      ~SQSMaster.check_if_job_exists
      ~SQSMaster.check_setup
      ~SQSMaster.child_hdf
      ~SQSMaster.clear_job
      ~SQSMaster.collect_logfiles
      ~SQSMaster.collect_output
      ~SQSMaster.collect_structures
      ~SQSMaster.compress
      ~SQSMaster.continue_with_final_structure
      ~SQSMaster.continue_with_restart_files
      ~SQSMaster.convergence_check
      ~SQSMaster.copy
      ~SQSMaster.copy_file_to_working_directory
      ~SQSMaster.copy_template
      ~SQSMaster.copy_to
      ~SQSMaster.create_child_job
      ~SQSMaster.create_job
      ~SQSMaster.create_pipeline
      ~SQSMaster.db_entry
      ~SQSMaster.decompress
      ~SQSMaster.drop_status_to_aborted
      ~SQSMaster.first_child_name
      ~SQSMaster.from_dict
      ~SQSMaster.from_hdf
      ~SQSMaster.from_hdf_args
      ~SQSMaster.get
      ~SQSMaster.get_calculate_function
      ~SQSMaster.get_child_cores
      ~SQSMaster.get_final_structure
      ~SQSMaster.get_from_table
      ~SQSMaster.get_input_parameter_dict
      ~SQSMaster.get_job_id
      ~SQSMaster.get_neighbors
      ~SQSMaster.get_neighbors_snapshots
      ~SQSMaster.get_output_parameter_dict
      ~SQSMaster.get_structure
      ~SQSMaster.get_workdir_file
      ~SQSMaster.gui
      ~SQSMaster.inspect
      ~SQSMaster.instantiate
      ~SQSMaster.interactive_close
      ~SQSMaster.interactive_fetch
      ~SQSMaster.interactive_flush
      ~SQSMaster.interactive_ref_job_initialize
      ~SQSMaster.is_compressed
      ~SQSMaster.is_finished
      ~SQSMaster.is_master_id
      ~SQSMaster.is_self_archived
      ~SQSMaster.iter_jobs
      ~SQSMaster.iter_structures
      ~SQSMaster.job_file_name
      ~SQSMaster.kill
      ~SQSMaster.list_all
      ~SQSMaster.list_childs
      ~SQSMaster.list_files
      ~SQSMaster.list_groups
      ~SQSMaster.list_nodes
      ~SQSMaster.list_structures
      ~SQSMaster.load
      ~SQSMaster.map
      ~SQSMaster.move_to
      ~SQSMaster.output_to_pandas
      ~SQSMaster.pop
      ~SQSMaster.refresh_job_status
      ~SQSMaster.refresh_submission_status
      ~SQSMaster.relocate_hdf5
      ~SQSMaster.remove
      ~SQSMaster.remove_and_reset_id
      ~SQSMaster.remove_child
      ~SQSMaster.rename
      ~SQSMaster.reset_job_id
      ~SQSMaster.restart
      ~SQSMaster.run
      ~SQSMaster.run_if_interactive
      ~SQSMaster.run_if_interactive_non_modal
      ~SQSMaster.run_if_modal
      ~SQSMaster.run_if_refresh
      ~SQSMaster.run_if_scheduler
      ~SQSMaster.run_static
      ~SQSMaster.run_time_to_db
      ~SQSMaster.save
      ~SQSMaster.save_output
      ~SQSMaster.self_archive
      ~SQSMaster.self_unarchive
      ~SQSMaster.set_child_id_func
      ~SQSMaster.set_input_to_read_only
      ~SQSMaster.show_hdf
      ~SQSMaster.signal_intercept
      ~SQSMaster.store_structure
      ~SQSMaster.suspend
      ~SQSMaster.to_dict
      ~SQSMaster.to_hdf
      ~SQSMaster.to_object
      ~SQSMaster.trajectory
      ~SQSMaster.transfer_from_remote
      ~SQSMaster.transform_structures
      ~SQSMaster.update_master
      ~SQSMaster.validate_ready_to_run
      ~SQSMaster.view_structure
      ~SQSMaster.write_input
      ~SQSMaster.write_traj
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~SQSMaster.calculate_kwargs
      ~SQSMaster.child_ids
      ~SQSMaster.child_names
      ~SQSMaster.child_project
      ~SQSMaster.content
      ~SQSMaster.database_entry
      ~SQSMaster.exclude_groups_hdf
      ~SQSMaster.exclude_nodes_hdf
      ~SQSMaster.executable
      ~SQSMaster.executor_type
      ~SQSMaster.files
      ~SQSMaster.files_to_compress
      ~SQSMaster.files_to_remove
      ~SQSMaster.id
      ~SQSMaster.input
      ~SQSMaster.job_id
      ~SQSMaster.job_info_str
      ~SQSMaster.job_name
      ~SQSMaster.job_object_dict
      ~SQSMaster.job_type
      ~SQSMaster.list_of_structures
      ~SQSMaster.logger
      ~SQSMaster.master_id
      ~SQSMaster.name
      ~SQSMaster.number_jobs_total
      ~SQSMaster.number_of_structures
      ~SQSMaster.parent_id
      ~SQSMaster.path
      ~SQSMaster.project
      ~SQSMaster.project_hdf5
      ~SQSMaster.queue_id
      ~SQSMaster.ref_job
      ~SQSMaster.restart_file_dict
      ~SQSMaster.restart_file_list
      ~SQSMaster.server
      ~SQSMaster.status
      ~SQSMaster.structure
      ~SQSMaster.version
      ~SQSMaster.working_directory