pyiron\_atomistics.atomistics.master.murnaghan.Murnaghan
========================================================

.. currentmodule:: pyiron_atomistics.atomistics.master.murnaghan

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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