aiida.cmdline.commands.cmd_data package#

The verdi data command line interface.

Submodules#

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.

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 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.

aiida.cmdline.commands.cmd_data.cmd_show.has_executable(exec_name)[source]#

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.

Parameters:

verdi data core.trajectory command.

verdi data core.upf command.