Summary of releases
Contents
Summary of releases#
V2.0.2 (6 Nov. 2022)#
V2.0.1 (31 Aug. 2022)#
Fix magnetic tolerance for judging type-II MSG (#187)
Release v2.0 and future plan#
This release contains functions to search magnetic space group types which are
provided as experimental features. The behaviours of these magnetic related
functions (*_magnetic_*
) with respect to the tolerance parameter (symprec
or
mag_symprec) may be changed in the future.
We are planning to separate irreducible k-points search from spglib. At spglib version 4.0, those functions will be removed if we succeed to provide an alternative package (hopefully with better functionalities) until then.
C functions and structures#
SpglibSpacegroupType
structure#
Add
hall_number
member at version 2.0Used as return value of
spg_get_spacegroup_type
andspg_get_spacegroup_type_from_symmetry
spg_get_spacegroup_type_from_symmetry
#
New at version 2.0
Replacement of
spg_get_hall_number_from_symmetry
spg_get_symmetry_with_site_tensors
#
Experimental: new at version 2.0
spg_get_magnetic_dataset
#
Experimental: new at version 2.0
spg_get_magnetic_symmetry_from_database
#
Experimental: new at version 2.0
spg_free_magnetic_dataset
#
Experimental: new at version 2.0
spg_get_magnetic_spacegroup_type_from_symmetry
#
Experimental: new at version 2.0
spg_get_hall_number_from_symmetry
#
Deprecated at version 2.0
Will be removed at version 3.0
spgat_get_symmetry_with_collinear_spin
#
Deprecated at version 2.0
Will be removed at version 3.0
Will be replaced by
spgms_get_symmetry_with_collinear_spin
spg_get_ir_reciprocal_mesh
#
Plan to make it deprecated at version 3.0
spg_get_stabilized_reciprocal_mesh
#
Plan to make it deprecated at version 3.0
Python interface#
get_symmetry
#
get_symmetry with
is_magnetic=True
is deprecated at version 2.0. Useget_magnetic_symmetry
for magnetic symmetry search.
get_spacegroup_type
#
hall_number
member is added at version 2.0.
get_spacegroup_type_from_symmetry
#
New at version 2.0
Replacement of get_hall_number_from_symmetry
get_magnetic_symmetry
#
Experimental: new at version 2.0
get_magnetic_symmetry_dataset
#
Experimental: new at version 2.0
get_magnetic_spacegroup_type
#
Experimental: new at version 2.0
get_magnetic_symmetry_from_database
#
Experimental: new at version 2.0
get_hall_number_from_symmetry
#
Deprecated at version 2.0
Will be removed at version 3.0
Will be replaced by
get_spacegroup_type_from_symmetry
get_ir_reciprocal_mesh
#
Plan to make it deprecated at version 3.0