pyiron\_atomistics.calphy.job.Calphy
====================================

.. currentmodule:: pyiron_atomistics.calphy.job

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~Calphy.__init__
      ~Calphy.animate_structures
      ~Calphy.calc_free_energy
      ~Calphy.calc_mode_alchemy
      ~Calphy.calc_mode_fe
      ~Calphy.calc_mode_pscale
      ~Calphy.calc_mode_ts
      ~Calphy.check_if_job_exists
      ~Calphy.check_setup
      ~Calphy.clear_job
      ~Calphy.collect_general_output
      ~Calphy.collect_logfiles
      ~Calphy.collect_output
      ~Calphy.collect_structures
      ~Calphy.compress
      ~Calphy.convergence_check
      ~Calphy.copy
      ~Calphy.copy_file_to_working_directory
      ~Calphy.copy_template
      ~Calphy.copy_to
      ~Calphy.create_job
      ~Calphy.db_entry
      ~Calphy.decompress
      ~Calphy.drop_status_to_aborted
      ~Calphy.from_dict
      ~Calphy.from_hdf
      ~Calphy.from_hdf_args
      ~Calphy.get
      ~Calphy.get_calculate_function
      ~Calphy.get_from_table
      ~Calphy.get_input_parameter_dict
      ~Calphy.get_job_id
      ~Calphy.get_output_parameter_dict
      ~Calphy.get_potentials
      ~Calphy.get_structure
      ~Calphy.inspect
      ~Calphy.instantiate
      ~Calphy.interactive_close
      ~Calphy.interactive_fetch
      ~Calphy.interactive_flush
      ~Calphy.is_compressed
      ~Calphy.is_master_id
      ~Calphy.is_self_archived
      ~Calphy.iter_structures
      ~Calphy.job_file_name
      ~Calphy.kill
      ~Calphy.list_all
      ~Calphy.list_childs
      ~Calphy.list_files
      ~Calphy.list_groups
      ~Calphy.list_nodes
      ~Calphy.list_potentials
      ~Calphy.load
      ~Calphy.move_to
      ~Calphy.refresh_job_status
      ~Calphy.relocate_hdf5
      ~Calphy.remove
      ~Calphy.remove_and_reset_id
      ~Calphy.remove_child
      ~Calphy.rename
      ~Calphy.reset_job_id
      ~Calphy.restart
      ~Calphy.run
      ~Calphy.run_if_interactive
      ~Calphy.run_if_interactive_non_modal
      ~Calphy.run_if_modal
      ~Calphy.run_if_refresh
      ~Calphy.run_if_scheduler
      ~Calphy.run_static
      ~Calphy.run_time_to_db
      ~Calphy.save
      ~Calphy.save_output
      ~Calphy.self_archive
      ~Calphy.self_unarchive
      ~Calphy.set_input_to_read_only
      ~Calphy.set_potentials
      ~Calphy.show_hdf
      ~Calphy.signal_intercept
      ~Calphy.suspend
      ~Calphy.to_dict
      ~Calphy.to_hdf
      ~Calphy.to_object
      ~Calphy.transfer_from_remote
      ~Calphy.transform_structures
      ~Calphy.update_master
      ~Calphy.validate_ready_to_run
      ~Calphy.view_potentials
      ~Calphy.write_input
      ~Calphy.write_structure
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~Calphy.calculate_kwargs
      ~Calphy.child_ids
      ~Calphy.content
      ~Calphy.database_entry
      ~Calphy.exclude_groups_hdf
      ~Calphy.exclude_nodes_hdf
      ~Calphy.executable
      ~Calphy.executor_type
      ~Calphy.files
      ~Calphy.files_to_compress
      ~Calphy.files_to_remove
      ~Calphy.id
      ~Calphy.job_id
      ~Calphy.job_info_str
      ~Calphy.job_name
      ~Calphy.job_type
      ~Calphy.logger
      ~Calphy.master_id
      ~Calphy.name
      ~Calphy.number_of_structures
      ~Calphy.output
      ~Calphy.parent_id
      ~Calphy.path
      ~Calphy.potential
      ~Calphy.project
      ~Calphy.project_hdf5
      ~Calphy.publication
      ~Calphy.queue_id
      ~Calphy.restart_file_dict
      ~Calphy.restart_file_list
      ~Calphy.server
      ~Calphy.status
      ~Calphy.structure
      ~Calphy.version
      ~Calphy.working_directory