pyiron\_atomistics.thermodynamics.hessian.HessianJob
====================================================

.. currentmodule:: pyiron_atomistics.thermodynamics.hessian

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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