matador.cli package


matador.cli.cli module

This file implements the “matador” command line.

class matador.cli.cli.MatadorCommandLine(*args, **kwargs)[source]

Bases: object

Class that implements the command-line interface to a MongoDB structure repository.

Initialise the query with command line arguments and return results.


Print spatula report on current database.


Print some useful stats about the database.


Parse all user args and construct a MatadorCommandLine object.

Keyword Arguments

no_quickstart – no_quickstart all stdin with sensible defaults.

matador.cli.dispersion module

This script mimics the script bundled with CASTEP. For the given bands file, a bandstructure is created. If a <seed>.adaptive.dat file exists then a combined BS/DOS plot will be created.


Parse args and run the script.

matador.cli.run3 module

Run calculations in a folder with BatchRun such that there are no clashes.


Parse args and run any remaining jobs.