pyiron\_atomistics.vasp.metadyn.VaspMetadyn
===========================================

.. currentmodule:: pyiron_atomistics.vasp.metadyn

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~VaspMetadyn.__init__
      ~VaspMetadyn.animate_structure
      ~VaspMetadyn.animate_structures
      ~VaspMetadyn.append_charge_density
      ~VaspMetadyn.append_wave_function
      ~VaspMetadyn.calc_md
      ~VaspMetadyn.calc_minimize
      ~VaspMetadyn.calc_static
      ~VaspMetadyn.check_if_job_exists
      ~VaspMetadyn.check_setup
      ~VaspMetadyn.cleanup
      ~VaspMetadyn.clear_job
      ~VaspMetadyn.collect_errors
      ~VaspMetadyn.collect_logfiles
      ~VaspMetadyn.collect_output
      ~VaspMetadyn.collect_structures
      ~VaspMetadyn.collect_warnings
      ~VaspMetadyn.compress
      ~VaspMetadyn.continue_with_final_structure
      ~VaspMetadyn.continue_with_restart_files
      ~VaspMetadyn.convergence_check
      ~VaspMetadyn.copy
      ~VaspMetadyn.copy_file_to_working_directory
      ~VaspMetadyn.copy_hamiltonian
      ~VaspMetadyn.copy_template
      ~VaspMetadyn.copy_to
      ~VaspMetadyn.create_job
      ~VaspMetadyn.create_pipeline
      ~VaspMetadyn.db_entry
      ~VaspMetadyn.decompress
      ~VaspMetadyn.drop_status_to_aborted
      ~VaspMetadyn.from_dict
      ~VaspMetadyn.from_directory
      ~VaspMetadyn.from_hdf
      ~VaspMetadyn.from_hdf_args
      ~VaspMetadyn.get
      ~VaspMetadyn.get_bader_charges
      ~VaspMetadyn.get_bader_volumes
      ~VaspMetadyn.get_calculate_function
      ~VaspMetadyn.get_charge_density
      ~VaspMetadyn.get_density_of_states
      ~VaspMetadyn.get_eddrmm_handling
      ~VaspMetadyn.get_electronic_structure
      ~VaspMetadyn.get_electrostatic_potential
      ~VaspMetadyn.get_encut
      ~VaspMetadyn.get_final_structure
      ~VaspMetadyn.get_final_structure_from_file
      ~VaspMetadyn.get_from_table
      ~VaspMetadyn.get_icharg_value
      ~VaspMetadyn.get_input_parameter_dict
      ~VaspMetadyn.get_job_id
      ~VaspMetadyn.get_k_mesh_by_cell
      ~VaspMetadyn.get_kpoints
      ~VaspMetadyn.get_magnetic_moments
      ~VaspMetadyn.get_neighbors
      ~VaspMetadyn.get_neighbors_snapshots
      ~VaspMetadyn.get_nelect
      ~VaspMetadyn.get_output_parameter_dict
      ~VaspMetadyn.get_rwigs
      ~VaspMetadyn.get_structure
      ~VaspMetadyn.get_valence_and_total_charge_density
      ~VaspMetadyn.get_workdir_file
      ~VaspMetadyn.gui
      ~VaspMetadyn.inspect
      ~VaspMetadyn.instantiate
      ~VaspMetadyn.interactive_atom_spin_constraints_getter
      ~VaspMetadyn.interactive_atom_spins_getter
      ~VaspMetadyn.interactive_cell_organizer
      ~VaspMetadyn.interactive_cells_getter
      ~VaspMetadyn.interactive_cells_setter
      ~VaspMetadyn.interactive_close
      ~VaspMetadyn.interactive_collect
      ~VaspMetadyn.interactive_computation_time_getter
      ~VaspMetadyn.interactive_energy_pot_getter
      ~VaspMetadyn.interactive_energy_tot_getter
      ~VaspMetadyn.interactive_fetch
      ~VaspMetadyn.interactive_flush
      ~VaspMetadyn.interactive_forces_getter
      ~VaspMetadyn.interactive_index_organizer
      ~VaspMetadyn.interactive_indices_getter
      ~VaspMetadyn.interactive_indices_setter
      ~VaspMetadyn.interactive_initialize_interface
      ~VaspMetadyn.interactive_is_activated
      ~VaspMetadyn.interactive_magmom_organizer
      ~VaspMetadyn.interactive_magnetic_forces_getter
      ~VaspMetadyn.interactive_open
      ~VaspMetadyn.interactive_positions_getter
      ~VaspMetadyn.interactive_positions_organizer
      ~VaspMetadyn.interactive_positions_setter
      ~VaspMetadyn.interactive_prepare
      ~VaspMetadyn.interactive_pressures_getter
      ~VaspMetadyn.interactive_spin_constraints_getter
      ~VaspMetadyn.interactive_spin_constraints_setter
      ~VaspMetadyn.interactive_spins_getter
      ~VaspMetadyn.interactive_steps_getter
      ~VaspMetadyn.interactive_store_in_cache
      ~VaspMetadyn.interactive_stress_getter
      ~VaspMetadyn.interactive_structure_setter
      ~VaspMetadyn.interactive_temperatures_getter
      ~VaspMetadyn.interactive_time_getter
      ~VaspMetadyn.interactive_unwrapped_positions_getter
      ~VaspMetadyn.interactive_volume_getter
      ~VaspMetadyn.is_compressed
      ~VaspMetadyn.is_master_id
      ~VaspMetadyn.is_self_archived
      ~VaspMetadyn.iter_structures
      ~VaspMetadyn.job_file_name
      ~VaspMetadyn.kill
      ~VaspMetadyn.list_all
      ~VaspMetadyn.list_childs
      ~VaspMetadyn.list_files
      ~VaspMetadyn.list_groups
      ~VaspMetadyn.list_nodes
      ~VaspMetadyn.list_potentials
      ~VaspMetadyn.load
      ~VaspMetadyn.map
      ~VaspMetadyn.modify_kpoints
      ~VaspMetadyn.move_to
      ~VaspMetadyn.nbands_convergence_check
      ~VaspMetadyn.refresh_job_status
      ~VaspMetadyn.relocate_hdf5
      ~VaspMetadyn.remove
      ~VaspMetadyn.remove_and_reset_id
      ~VaspMetadyn.remove_child
      ~VaspMetadyn.rename
      ~VaspMetadyn.reset_job_id
      ~VaspMetadyn.reset_output
      ~VaspMetadyn.restart
      ~VaspMetadyn.restart_for_band_structure_calculations
      ~VaspMetadyn.restart_from_charge_density
      ~VaspMetadyn.restart_from_wave_and_charge
      ~VaspMetadyn.restart_from_wave_functions
      ~VaspMetadyn.run
      ~VaspMetadyn.run_if_interactive
      ~VaspMetadyn.run_if_interactive_non_modal
      ~VaspMetadyn.run_if_modal
      ~VaspMetadyn.run_if_refresh
      ~VaspMetadyn.run_if_scheduler
      ~VaspMetadyn.run_static
      ~VaspMetadyn.run_time_to_db
      ~VaspMetadyn.save
      ~VaspMetadyn.save_output
      ~VaspMetadyn.self_archive
      ~VaspMetadyn.self_unarchive
      ~VaspMetadyn.set_algorithm
      ~VaspMetadyn.set_complex_constraint
      ~VaspMetadyn.set_convergence_precision
      ~VaspMetadyn.set_coulomb_interactions
      ~VaspMetadyn.set_dipole_correction
      ~VaspMetadyn.set_eddrmm_handling
      ~VaspMetadyn.set_electric_field
      ~VaspMetadyn.set_empty_states
      ~VaspMetadyn.set_encut
      ~VaspMetadyn.set_exchange_correlation_functional
      ~VaspMetadyn.set_fft_mesh
      ~VaspMetadyn.set_for_band_structure_calc
      ~VaspMetadyn.set_input_to_read_only
      ~VaspMetadyn.set_kpoints
      ~VaspMetadyn.set_mixing_parameters
      ~VaspMetadyn.set_occupancy_smearing
      ~VaspMetadyn.set_primitive_constraint
      ~VaspMetadyn.set_rwigs
      ~VaspMetadyn.set_spin_constraint
      ~VaspMetadyn.show_hdf
      ~VaspMetadyn.signal_intercept
      ~VaspMetadyn.species_from_hdf
      ~VaspMetadyn.stop_calculation
      ~VaspMetadyn.store_structure
      ~VaspMetadyn.suspend
      ~VaspMetadyn.to_dict
      ~VaspMetadyn.to_hdf
      ~VaspMetadyn.to_object
      ~VaspMetadyn.trajectory
      ~VaspMetadyn.transfer_from_remote
      ~VaspMetadyn.transform_structures
      ~VaspMetadyn.update_master
      ~VaspMetadyn.validate_ready_to_run
      ~VaspMetadyn.view_structure
      ~VaspMetadyn.write_constraints
      ~VaspMetadyn.write_input
      ~VaspMetadyn.write_magmoms
      ~VaspMetadyn.write_traj
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~VaspMetadyn.calculate_kwargs
      ~VaspMetadyn.child_ids
      ~VaspMetadyn.content
      ~VaspMetadyn.current_structure
      ~VaspMetadyn.database_entry
      ~VaspMetadyn.encut
      ~VaspMetadyn.exchange_correlation_functional
      ~VaspMetadyn.exclude_groups_hdf
      ~VaspMetadyn.exclude_nodes_hdf
      ~VaspMetadyn.executable
      ~VaspMetadyn.executor_type
      ~VaspMetadyn.files
      ~VaspMetadyn.files_to_compress
      ~VaspMetadyn.files_to_remove
      ~VaspMetadyn.fix_spin_constraint
      ~VaspMetadyn.fix_symmetry
      ~VaspMetadyn.id
      ~VaspMetadyn.initial_structure
      ~VaspMetadyn.interactive_enforce_structure_reset
      ~VaspMetadyn.interactive_flush_frequency
      ~VaspMetadyn.interactive_write_frequency
      ~VaspMetadyn.job_id
      ~VaspMetadyn.job_info_str
      ~VaspMetadyn.job_name
      ~VaspMetadyn.job_type
      ~VaspMetadyn.k_mesh_center_shift
      ~VaspMetadyn.k_mesh_spacing
      ~VaspMetadyn.kpoint_mesh
      ~VaspMetadyn.logger
      ~VaspMetadyn.master_id
      ~VaspMetadyn.name
      ~VaspMetadyn.number_of_structures
      ~VaspMetadyn.parent_id
      ~VaspMetadyn.path
      ~VaspMetadyn.plane_wave_cutoff
      ~VaspMetadyn.potential
      ~VaspMetadyn.potential_available
      ~VaspMetadyn.potential_list
      ~VaspMetadyn.potential_view
      ~VaspMetadyn.project
      ~VaspMetadyn.project_hdf5
      ~VaspMetadyn.publication
      ~VaspMetadyn.queue_id
      ~VaspMetadyn.reduce_kpoint_symmetry
      ~VaspMetadyn.restart_file_dict
      ~VaspMetadyn.restart_file_list
      ~VaspMetadyn.server
      ~VaspMetadyn.sorted_indices
      ~VaspMetadyn.spin_constraints
      ~VaspMetadyn.status
      ~VaspMetadyn.structure
      ~VaspMetadyn.version
      ~VaspMetadyn.working_directory
      ~VaspMetadyn.write_charge_density
      ~VaspMetadyn.write_electrostatic_potential
      ~VaspMetadyn.write_resolved_dos
      ~VaspMetadyn.write_wave_funct
      ~VaspMetadyn.xc