The verdi data command line interface.
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
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).
export_options
This module provides list functionality to all data types.
aiida.cmdline.commands.cmd_data.cmd_list.
data_list
List stored objects
list_options
Creates a decorator with all the options.
query
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
Plugin to show the structure with the ASE visualizer
_show_jmol
Plugin for jmol
_show_mpl_heatmap
Produces a matplotlib plot of the trajectory
_show_mpl_pos
_show_vesta
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
_show_vmd
Plugin for vmd
_show_xcrysden
Plugin for xcrysden
_show_xmgrace
Plugin for showing the bands with the XMGrace plotting software.
show_options
verdi data singlefile command.
verdi data structure command.
aiida.cmdline.commands.cmd_data.cmd_structure.
_store_structure
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 trajectory command.
verdi data upf command.