aiida.cmdline.commands.cmd_data package¶

The verdi data command line interface.

Submodules¶

verdi data array command.

verdi data bands command.

verdi data cif command.

verdi data 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.

Parameters

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

Note

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

aiida.cmdline.commands.cmd_data.cmd_list.list_options(func)[source]¶: 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 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, object_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.

verdi data singlefile command.

verdi data 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.

Parameters

verdi data trajectory command.

verdi data upf command.

aiida.cmdline.commands package

aiida.cmdline.params package