pyiron\_atomistics.dft.master.murnaghan\_dft.MurnaghanDFT
=========================================================

.. currentmodule:: pyiron_atomistics.dft.master.murnaghan_dft

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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