The magnetic_dic dictionary records basis vector and origin transformations in two ways:
As a compact text string (e.g. _space_group_magn.transform_og_pp_abc).
As transformation matrices (e.g. _space_group_magn.transform_og_pp).
The following _pp_abc data items currently do not have a corresponding pp matrix item:
_parent_space_group.child_transform_pp_abc
_parent_space_group.transform_pp_abc
_space_group_magn_ssg_transforms.pp_superspace
In https://github.com/COMCIFS/magnetic_dic/pull/64#issuecomment-1901761783 it was agreed that it would be useful to add the _parent_space_group.child_transform_pp and _parent_space_group.transform_pp data items, and that it might also be worthwhile to further discuss this with Manu from the MAGNDATA since this database extensively uses the PARENT_SPACE_GROUP items.
The utility of _space_group_magn_ssg_transforms.pp_superspace_? (matrix form item) has not yet been discussed.
The
magnetic_dicdictionary records basis vector and origin transformations in two ways:_space_group_magn.transform_og_pp_abc)._space_group_magn.transform_og_pp).The following
_pp_abcdata items currently do not have a correspondingppmatrix item:_parent_space_group.child_transform_pp_abc_parent_space_group.transform_pp_abc_space_group_magn_ssg_transforms.pp_superspaceIn https://github.com/COMCIFS/magnetic_dic/pull/64#issuecomment-1901761783 it was agreed that it would be useful to add the
_parent_space_group.child_transform_ppand_parent_space_group.transform_ppdata items, and that it might also be worthwhile to further discuss this with Manu from the MAGNDATA since this database extensively uses the PARENT_SPACE_GROUP items.The utility of
_space_group_magn_ssg_transforms.pp_superspace_?(matrix form item) has not yet been discussed.