Source code for mxtaltools.common.sym_utils

from mxtaltools.constants.space_group_info import SYM_OPS, POINT_GROUPS, LATTICE_TYPE, SPACE_GROUPS


[docs] def init_sym_info(): """ Initialize dict containing symmetry info for crystals with standard settings and general positions. Returns ------- sym_info : dict """ sym_ops = SYM_OPS point_groups = POINT_GROUPS lattice_type = LATTICE_TYPE space_groups = SPACE_GROUPS sym_info = { # collect space group info into single dict 'sym_ops': sym_ops, 'point_groups': point_groups, 'lattice_type': lattice_type, 'space_groups': space_groups} return sym_info