aiida.cmdline.commands.cmd_data package#

The verdi data command line interface.


verdi data core.array command.

verdi data core.bands command.

verdi data core.cif command.

verdi data core.dict command.

This module provides export functionality to all data types

aiida.cmdline.commands.cmd_data.cmd_export.data_export(node, output_fname, fileformat, other_args=None, overwrite=False)[source]#

Depending on the parameters, either print the (single) output file on screen, or store the file(s) on disk.

  • node – the Data node to print or store on disk

  • output_fname – The filename to store the main file. If empty or None, print instead

  • fileformat – a string to pass to the _exportcontent method

  • other_args – a dictionary with additional kwargs to pass to _exportcontent

  • overwrite – if False, stops if any file already exists (when output_fname is not empty


this function calls directly sys.exit(1) when an error occurs (or e.g. if check_overwrite is True and a file already exists).


This module provides list functionality to all data types.

aiida.cmdline.commands.cmd_data.cmd_list.data_list(datatype, columns, elements, elements_only, formula_mode, past_days, groups, all_users)[source]#

List stored objects


Creates a decorator with all the options.

aiida.cmdline.commands.cmd_data.cmd_list.query(datatype, project, past_days, group_pks, all_users)[source]#

Perform the query

verdi data core.remote command.

This allows to manage showfunctionality to all data types.

aiida.cmdline.commands.cmd_data.cmd_show._show_ase(exec_name, structure_list)[source]#

Plugin to show the structure with the ASE visualizer

aiida.cmdline.commands.cmd_data.cmd_show._show_jmol(exec_name, trajectory_list, **_kwargs)[source]#

Plugin for jmol

aiida.cmdline.commands.cmd_data.cmd_show._show_mpl_heatmap(exec_name, trajectory_list, **kwargs)[source]#

Produces a matplotlib plot of the trajectory

aiida.cmdline.commands.cmd_data.cmd_show._show_mpl_pos(exec_name, trajectory_list, **kwargs)[source]#

Produces a matplotlib plot of the trajectory

aiida.cmdline.commands.cmd_data.cmd_show._show_vesta(exec_name, structure_list)[source]#

Plugin for VESTA This VESTA plugin was added by Yue-Wen FANG and Abel Carreras at Kyoto University in the group of Prof. Isao Tanaka’s lab

aiida.cmdline.commands.cmd_data.cmd_show._show_vmd(exec_name, structure_list)[source]#

Plugin for vmd

aiida.cmdline.commands.cmd_data.cmd_show._show_xcrysden(exec_name, trajectory_list, **_kwargs)[source]#

Plugin for xcrysden

aiida.cmdline.commands.cmd_data.cmd_show._show_xmgrace(exec_name, list_bands)[source]#

Plugin for showing the bands with the XMGrace plotting software.


True if executable can be found in PATH, False otherwise.

verdi data singlefile command.

verdi data core.structure command.

aiida.cmdline.commands.cmd_data.cmd_structure._store_structure(new_structure, dry_run)[source]#

Store a structure and print a message (or don’t store it if it’s a dry_run)

This is a utility function to avoid code duplication.

  • new_structure – an unstored StructureData

  • dry_run – if True, do not store but print a different message

verdi data core.trajectory command.

verdi data core.upf command.