gflownet.utils.crystals.build_lattice_dicts

Reads a dictionary with crystal classes and their point groups, and a dictionary with the point group of each space group, and outputs a dictionary containing both the point groups and space groups of each crystal class.

Attributes

N_SPACE_GROUPS

args

Functions

parsed_args()

Parse and returns command-line args

Module Contents

gflownet.utils.crystals.build_lattice_dicts.N_SPACE_GROUPS = 230[source]
gflownet.utils.crystals.build_lattice_dicts.parsed_args()[source]

Parse and returns command-line args

Returns:

argparse.Namespace – the parsed arguments

gflownet.utils.crystals.build_lattice_dicts.args = None[source]