`aim2dat.utils.space_groups`¶

Module containing functions to parse space groups and to get information on the lattice.

Module Contents¶

`get_crystal_system`(space_group)	Return the crystal system of a space group given by a string or number.
`get_lattice_type`(space_group)	Return the crystal system of a space group given by a string or number.
`transform_to_nr`(space_group)	Parse the space group into the corresponding number (if necessary).
`transform_to_str`(space_group)	Parse the space group from its number to the symbol.

aim2dat.utils.space_groups.get_crystal_system(space_group)[source]¶

Return the crystal system of a space group given by a string or number.

Parameters:¶: space_group (int or str) – Space group of the crystal.
Returns:¶: crystal_system (str) – The crystal system of the space group, e.g. ‘tetragonal’.

aim2dat.utils.space_groups.get_lattice_type(space_group)[source]¶: Return the crystal system of a space group given by a string or number.

aim2dat.utils.space_groups.transform_to_nr(space_group)[source]¶

Parse the space group into the corresponding number (if necessary).

aim2dat.utils.space_groups.transform_to_str(space_group)[source]¶

Parse the space group from its number to the symbol.