pyiron\_atomistics.atomistics.master.quasi.QuasiHarmonicJob
===========================================================

.. currentmodule:: pyiron_atomistics.atomistics.master.quasi

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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