2022-08-09 Atsushi Togo <atz.togo@gmail.com>

    * This ChangeLog is obsolete.

    New releases are presented at https://spglib.github.io/spglib/releases.html.
    Detailed changes are found in git-log.

2022-05-06 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.16.5

    Bug fix of issue #157.

2022-05-05 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.16.4

    Maintenance release including many minor fixes and improvements.

2021-12-8 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.16.3

    Just to deploy source code to PyPI.

2021-08-10 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.16.2

    Collection of fixes and improvements.

    * PR #130 by odidev

    Github workflow to build PyPI wheels.

    * PR #124 by site-g

    Fix wyckoff position database.

    * PR #120 by site-g

    Fix Delaunay reduction.

    * PR #119 by dmt4

    Improvements of fortran interface.

    * PR #117 by Jonas-Finkler

    Added standardize_cell to fortran interface.

2021-01-29 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.16.1

    Bug fix of fortran wrapper.

2020-07-30 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.16

    Minor update. Symmetry operations in spg_database.c for
    Hall numbers 212, 213, 214 are re-ordered to start by identity
    operation.

2020-04-28 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.15.1

    Critical bug fix for collinear spin symmetry.

    * src/spin.c (get_operations):

    Collinear spin symmetry was wrongly handled. This was fixed at
    commit bf954039.

2020-04-17 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.15

    'crystallographic_orbits' was added to SpglibDataset by Lauri Himanen.
    Rust interface was implemented by Seaton Ullberg.

2019-07-30 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.14.1

    Version number increment just to release pypi package.

2019-07-30 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.14

    Improvement against cyclic point change over applying
    standardizaion repeatedly. More specifically, when we have an
    input crystal structure, we standardize it by spglib then we may
    get another structure. We apply the standardization again to this
    standardized structure and we get another structure. Some people
    may expect after several iteration, the input and output
    structures become same. This version provides some improvement on
    this. But unfortunately it could not be perfect, for example, this
    can be not working for crystal structures having special metrics
    given in the table of Euclidean normalizer section of ITA.

2019-07-02 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.13

    * src/spacegroup.c (match_hall_symbol_db_ortho, match_hall_symbol_db_monocli):

    Fix Issue#57 of SeekPath: Standardizations of choices of a,b,c axes
    for Cmma (67), Ccca(68), Ibca(73), Imma(74) were fixed. For
    monoclinic systems, lengths of non-unique axes are now checked by a
    exhaustive way.

    * src/kpoint.c (check_mesh_symmetry):

    Issue#79: Treatment of ir-kpoint search for special cases with three fold
    rotation (e.g., hexagonal or primitive FCC).

2019-02-06 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.12.2

    Minor release for memory leak fix (PR#71).

2019-01-30 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.12.1

    * src/spglib.h:

    Bug fix of PR #70. #include <stddef.h> is inserted. In principle,
    this line is necessary to compile.

2019-01-29 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.12.0

    After this minor version, addition of new features will be stopped
    until version 2.0 will be released.

    * src/sitesym_database.c (ssmdb_get_site_symmetry_symbol):

    Experimental support of site symmetry symbols.

    * src/pointgroup.c:

    Comparisons of basis vector lengths are more carefully done for
    letting them work for different computer architectures to treat
    very small numerical different that is close to the machine
    precision.

    * src/mathfunc.c (mat_Dmod1):

    Similarly, MOD-Z operation (bring values x inside the rage of 0<=
    x < 1) is now done considering the difference of machine
    precision.

    * src/kpoint.c (kpt_get_irreducible_reciprocal_mesh):

    To enable dense k-point mesh sampling, integer types of variables
    that represent grid point indices were changed from int to size_t.
    But to support current functions with the same API, adapters were
    written for these functions (having 'dense' in their function
    names until v2.0 will be released) and currently they are working
    in the same way as before. Finally the API change will be realized
    at the v2.0

2018-12-07 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.11.2

    * src/refinement.c (find_similar_bravais_lattice):

    Bug fix. Again, origin shift was still not correctly computed when
    the standardized basis vectors are rotated in this method to find
    most similar choice of basis vectors to the idealized ones. This
    bug affected to 'origin_shift' and 'std_positions' in spglib
    dataset and the functions 'spg_standardize_cell',
    'spg_find_primitive', and 'spg_refine_cell'. Although there
    existed this bug, tests unfortunately passed. So a new test to
    check Wyckoff positions consistency was added to find possible
    bugs related to origin shift because this bug was found by getting
    wrong Wyckoff positions reported by a user.

2018-11-12 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.11.1

    * src/refinement.c (find_similar_bravais_lattice):

    Bug fix. Origin shift was not correctly computed when the
    standardized basis vectors are rotated in this method to find most
    similar choice of basis vectors to the idealized ones. This bug
    affected to 'origin_shift' and 'std_positions' in spglib dataset
    and the functions 'spg_standardize_cell', 'spg_find_primitive',
    and 'spg_refine_cell'.

2018-11-09 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.11.0

    * src/refinement.c (find_similar_bravais_lattice):

    This looks for a
    similar choice of standardized basis vectors to that of idealized
    standardized basis vectors among those generated by proper
    symmetry operations.

    * src/refinement.c (measure_rigid_rotation):

    This computes a rigid rotation matrix introduced
    in the idealization step. The rotation is made to agree a-axes
    and a-b planes between systems before and after idealization.

2018-08-01 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.10.4

    Collection of minor fixes.
    A text on spglib algorithm is prepared for this version. This
    text will be available soon at arXiv. To be consistent between
    text and code, the code refactoring was made.

2018-01-13 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.10.3

    * src/overlap.c:

    New algorithm to search translation part of space group operation
    is implemented by Michael Lamparski to improving the search speed
    especially for large unit cell systems. For this, new files
    'overlap.*' are added and so the version number is incremented.

2017-12-13 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.10.2

    * src/Makefile.am:

    Automake didn't work due to the lack of determination.{c,h}
    lines. This was fixed.

2017-10-27 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.10.1

    * src/spglib.c (get_dataset):

    A large refactoring was made to replace the outer-most iteration
    loop of symmetry search algorithm to a new file 'determination.c'.

    * src/spglib.c (spg_get_schoenflies,spg_get_international):

    These routines had accessed directly to a function close to
    spacegroup.c. Now these are replaced by passing through
    'get_dataset'.

2017-10-22 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.10.0

    'mapping_to_primitive' and 'std_mapping_to_primitive' in the
    spglib dataset are put available on the spglib
    document. 'spg_get_hall_number_from_symmetry' function
    ('get_hall_number_from_symmetry' method for python) is also
    available on the spglib document.

2017-10-02 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.10

    Many minor fixes and updates after many months from v1.9.9.

    * src/symmetry.c (search_pure_translations):

    Pure translation search is made faster using a property of
    group, which is significantly effective for supercells with large
    multiplicity.

2016-12-14 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.9

    * src/kpoint.c:

    'get_ir_reciprocal_mesh' was supported to work with mesh numbers
    that are consistent with symmetry. Now this function somehow
    supports when mesh numbers are symmetrically broken.

2016-12-09 Atsushi Togo <atz.togo@gmail.com>

    * src/symmetry.c:

    static variable of 'angle_tolerance', 'sym_set_angle_tolerance',
    'sym_get_angle_tolerance' were removed toward letting it
    thread-safe. Now 'angle_tolerance' is passed as an argument to
    many functions in spglib.

2016-11-02 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.8

    * src/cell.c (cel_is_overlap_with_same_type):

    'cel_is_overlap_with_same_type' is implemented to check
    overlapping of atoms along with checking atom type
    agreement. Using this, atoms that have about the same position but
    with different types can be separately handled.

2016-10-19 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.6

    Collection of minor fixes.

    * src/cell.c (cel_set_cell):

    Reduced atomic positions of the input cell are initialized by
    their moving in the range between -0.5 and 0.5. The cell shape is
    kept unchanged but this may need to be considered to handle some
    extreme case in the future.

2016-09-05 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.5
    * src/spglib.h (SpglibError):

    'spg_get_error_code' and 'spg_get_error_message' were made to
    handle a few types of internal errors.

    * src/spglib.c, src/cell.c (cel_any_overlap_with_same_type):

    To check overlap of atoms, 'cel_any_overlap' and
    'cel_any_overlap_with_same_type' were implemented. The former
    doesn't check atomic type but the later does. Currently this check
    is done before symmetry search and the later is used for
    it. Therefore overlap of different types of atoms is allowed.

2016-05-06 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.4

    * src/spglib.h (SpglibDataset):

    The member of SpglibDataset, 'setting', is renamed to 'choice',
    and 'pointgroup_number' is removed.

    * src/cell.c (get_overlap_table):

    Fix unexpected behavior. This might happen in a rare case with
    large tolerance.

2016-04-28 Atsushi Togo <atz.togo@gmail.com>

    * src/spglib.c (spg_get_spacegroup_type):

    Arithmetic crystal class number and symbol are returned. Python
    interface 'get_spacegroup_type' was created.

    * src/spglib.c (get_dataset):
    * src/site_symmetry.c (ssm_get_exact_positions, set_exact_location):

    Two iterative loops are implemented. The outer one is in
    get_dataset, and the inner one is in ssm_get_exact_positions.
    Each site-symmetry is checked in set_exact_location. In the inner loop,
    symmetry tolerance is controlled until all site-symmetries become
    reasonable. If the inner loop finally fails, the symmetry
    tolerance in the outer loop is reduced and the symmetry search
    starts from the beginning.

2016-04-17 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.2

    * src/symmetry.c (get_lattice_symmetry):

    The treatment after the condition, order of point symmetry
    becomes larger than 48, is found was bad and it induced
    segfault. It is fixed and a better treatment for angle_tolerance
    is implemented as an iterative method.

    * src/spglib.c (spg_delaunay_reduce):

    spg_delaunay_reduce is made as an interface to the Delaunay
    reduction.

    * src/spacegroup.c (search_spacegroup):

    A check if excess symmetry operations are found for a primitive
    cell is inserted by watching its point group. This made the
    algorithm of database matching safer.

2016-04-11 Atsushi Togo <atz.togo@gmail.com>

    * src/delaunay.c:

    lattice.{c,h} are renamed to delaunay.{c.h},
    respectively. Function names in them, *get_smallest_lattice, are
    changed to *delaunay_reduce.

2016-04-06 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.1

    This is a minor update. Only a small notable change is in the
    python wrapper, where for crystal structure, now a tuple format
    can be sued.

2015-12-20 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.9.0

    Pyspglib was considered as a special extension of spglib, but now
    it starts to be a part of spglib as a usual extension. Therefore
    the package name is changed to spglib, and this python wrapper
    will be maintained to work at every update of c-spglib.

    Scripts for pypi and conda package environments are prepared in
    python wrapper by a lot of help from Paweł T. Jochym.

    In previous versions, tests were in the test directory and space
    group numbers were checked for many POSCARs by using combination
    of ruby-spglib and shell script. Now a similar test is written in
    a form of python unit test in the 'python' directory. Previous
    'test' directory is renamed to 'ruby' and the POSCARs were moved
    under the 'python/test' directory.

2015-12-13 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.8.3

    * src/version.h:

    Made functions to return spglib version number,
    'spg_get_major_version()', 'spg_get_minor_version()',
    'spg_get_micro_version()' in 'spglib.c'. This version number is
    stored in 'version.h'.

2015-08-19 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.8.2.2

    * src/spglib.c (is_rhombohedral):

    Regardless of rhombohedral or hexagonal setting, a primitive
    rhombohedral is found when using finding primitive cell functions.

2015-08-03 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.8.2.1

    * src/spacegroup.c (spa_transform_to_primitive):

    Bug fix of transformation matrix with centering. The side to be
    multiplied was wrong.

    * Version 1.8.2

    * k-points and tetrahedron method

    k-point grid definitions are separated to 'kgrid.c'.
    'kgrid.{c,h}' and 'tetrahedron_method.{c,h}' are moved to a new
    git repository of kspclib (https://github.com/atztogo/kspclib).
    Tetrahedron method related spglib-APIs are removed.

    * Choice of triclinic basis vector directions is implemented and
    the definition is written in the document.

2015-07-09 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.8.1

    In SpglibDataset, definitions of transformation matrix and origin
    shift are changed, member names of '*brv_*' are changed to
    '*std_*', and the members, pointgroup_number and
    pointgroup_symbol, are added.

    New function 'spg_standardize_cell' is implemented. This can also
    give 'standardized primitive cell' with 'to_primitive =
    1'.

    Due to change of internal implementation, the order of symmetry
    operations obtained can be different from the recently released
    versions, but the set is the same.

2015-06-25 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.8

    Relatively large code refactoring was made. Especially
    'primitive.c' was changed a lot.

    Write license statement (New BSD) in the source codes.

    * src/spglib.c:

    A new function 'spg_find_standardized_primitive' is
    implemented. This function allows to create a primitive cell from
    the obtained standardized conventional unit cell with
    transformation using pre-determined choice of centring basis
    vectors.

2015-06-15 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.7.4

    Wyckoff position database for rhombohedral cell was
    wrong. Probably this bug was hidden by the previous default choice
    of basis vectors but from version 1.7.3 it became revealed.

2015-06-14 Atsushi Togo <atz.togo@gmail.com>

    * src/sitesym_database.c

    Bug in database of hP of rhombohedral was fixed. This bug was
    affected after version 1.7.3. 'make_Wyckoff_db.py' is fixed and
    then the database in 'sitesym_database.c' is recreated by
    make_Wyckoff_db.py.

2015-04-06 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.7.3

2015-04-05 Atsushi Togo <atz.togo@gmail.com>

    * src/triplet_kpoint.{c,h}:

    Code to handle triplets of kpoints was separated from
    kpoint.c. Detail of functions was revisited and modified, e.g.,
    taking modulo of grid address is now included in
    get_grid_point_double_mesh in most cases. This is probably safe
    change, but may induce some tricky bug, which has to be
    remembered. kpt_get_grid_point should be moved to spglib.c with
    calling kpt_get_grid_point_double_mesh someday soon. It is noted
    here for not forgetting that get_third_q_of_triplets_at_q in
    triplet_kpoint.c might be written better around the point using
    mat_modulo_i3. In triplet_kpoint.c, mat_modulo_i3 is used only
    here, so eliminating this can move mat_modulo_i3 to kpoint.c as a
    local function as before.

2015-04-03 Atsushi Togo <atz.togo@gmail.com>

    * src/spacegroup.c (match_hall_symbol_db_ortho):

    Change the convention of lengths of basis vector preference to:
    a < b < c for hall number 290 and a < c < b for 291 or
    a < b < c for hall number 291 and a < c < b for 290,
    to preserve a < b convention found in Parthe et al, Journal of
    Alloys and Compounds, 197 (1993) 291-301.

2015-03-31 Atsushi Togo <atz.togo@gmail.com>

    * src/spacegroup.c (match_hall_symbol_db_ortho):

    Fix choice of lengths of basis vectors in orthorhombic Pbca. There
    are two choices for Pbca. The basis vectors can be chosen so as to
    a < b < c or b < a < c, which correspond to these two choices,
    respectively. The correspondence can be flipped, i.e., in a case,
    a < b < c for hall number 290 and b < a < c for 291, but in some
    other case, a < b < c for hall number 291 and b < a < c for 290.

2015-03-20 Atsushi Togo <atz.togo@gmail.com>

    * src/hall_symbol.c (find_hall_symbol):

    A critical bug was found in version 1.7.2, where origin shift was
    given for the primitive cell but not for the Bravais lattice. This
    was fixed. The version 1.7.2 was removed from the download site
    and temporary 1.7.3-pre is put on the download site.

2015-03-08 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.7.2

    * src/niggli.*:

    Routine of Niggli cell reduction is imported from
    https://github.com/atztogo/niggli.

2015-02-24 Atsushi Togo <atz.togo@gmail.com>

    * src/spacegroup.c (get_symmetry_settings):

    Monoclinic lattice vectors are chosen as |a| < |c| with b as the
    unique axis. This is achieved by get_Delaunay_reduction_2D.

    * src/lattice.c (get_Delaunay_reduction_2D):

    2D Delaunay reduction is implemented based on that of 3D.

    * src/lattice.c (lat_smallest_lattice_vector_2D):

    Create an interface to access 2D Delaunay reduction.

2015-02-11 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.7.1

    There are minor changes to make functions robust and code clean.

    * src/spglib.c

    spg(at)_get_symmetry_with_collinear_spin is changed to return
    equivalent atoms.
    spg_get_international and spg_get_schoenflies call iterative
    routine to determine space group type.

    * src/primitive.h:

    Primitive structure is defined. This is expected to make routines
    related to primitive cell comprehensive. Memory for a pointer of
    the Primitive variable may be allocated using prm_alloc_primitive
    and freed by prm_free_primitive.

    * src/spacegroup.c:

    spa_get_spacegroup was replaced by iterative routine and now
    returns a Primitive structure.

2014-11-19 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.7

    Space group operations for non-standard setting can be determined
    using spg_get_dataset_with_hall_number. To achieve this, many
    lines are added and changed. Due to the big change of the code,
    there may be bugs, and maybe it's safer to wait for a while to use
    this version for mission critical systems.

    Two important changes are:

    * src/spglib.c (spg_get_dataset_with_hall_number)

    In space group type determination, Hall symbol serial number can
    be specified.

    * src/spglib.h (SpglibDataset)

    Crystallographic setting information is stored in
    'setting'. Symmetrized and standardized crsytal structure is stored
    in 'n_brv_atoms', 'brv_lattice', 'brv_types', and 'brv_positions',
    which are the same information obtained using 'spg_refine_cell',
    except that non-standard setting can be specified in
    'spg_get_dataset_with_hall_number'.

2014-10-16 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.6.4

    * src/refinement.c (refine_cell):

    An iterative approach is implemented for refine_cell.

2014-09-12 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.6.3

    * src/primitive.c:

    Atom type is checked in finding a primitive cell. This enables to
    handle different types of atoms that locate at the same position.
    for the case of an automatically generated crystal structure data
    from a fractional occupancy, etc.

    * Version 1.6.2

    Minor bug fixes.

    * src/spglib.c (spg_get_symmetry_from_database):

    An API to access space group operations database is implemented.

2014-08-04 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.6.1:

    * src/{refinement.*,primitive.*,spglib.c}

    Fix symmetry finding bug for supercell that has lower point group
    than the primitive cell.

    * src/spglib.*

    New functions of spg_get_spacegroup_type and
    spg_get_grid_point. The former offers direct access to space
    group type database using hall symbol number. The later performs
    converting grid address to grid point index on the reciprocal
    mesh.

    * pyspglib update.

2014-02-17 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.6.0:

    * src/spglib.c (spg_get_spacegroup_type):

    A function is made for accessing space-group-type database.

2014-01-07 Atsushi Togo <atz.togo@gmail.com>

    * src/tetrahedron_method.*:

    Tetrahedron method is implemented. Example is found in the example
    directory.

2013-09-10 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.5.2:

    * kpoint.c (kpt_relocate_BZ_grid_address):

    New function kpt_relocate_BZ_grid_address is implemented in
    kpoint.c. k-points on the mesh of the reciprocal primitive lattice
    are relocated to fit in the Brillouin zone. To treat
    translationally equivalent k-points, the memory space of
    bz_grid_address[prod(mesh + 1)][3] is required.  bz_map[prod(mesh
    * 2 - 1)] is used to map k-points on the expanded k-space where
    the shape is same as the reciprocal primitive lattice but the size
    along each lattice vector is multiplied by mesh * 2 - 1. BZ zone
    is included in this expanded k-space, so the bz_map can hold the
    location of relocated k-points. Irreducible k-points are stored
    from 0 to index of prod(mesh) - 1 in bz_grid_address in the same
    order of grid_address, and the translationally equivalent k-points
    are stored after that. Fast indexing of the location of relocated
    k-points can be executed using bz_map with similar way to usual
    grid_address scheme.

    * kpoint.c (kpt_get_BZ_triplets_at_q):

    New function kpt_get_BZ_triplets_at_q is implemented using
    relocate_BZ_grid_address. This generates a set of triplets that
    cleanly fit in BZ.

2013-09-10 Atsushi Togo <atz.togo@gmail.com>

    * kpoint.c:

    Remove get_triplets_reciprocal_mesh and
    extract_triplets_reciprocal_mesh_at_q.  Add
    get_grid_triplets_at_q. This function treats q-points on boundary
    correctly.

    * spglib.c (spg_get_symmetry):

    Previously symmetry operations were obtained by sym_get_operation.
    Now it is changed so that they are extracted from spglib_dataset.

2013-04-16 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c (get_operation):

    In some case, get_space_group_operation returns more than 48
    symmetry operations for a primitive cell. To avoid this, an
    iterative approach, which is just reducing tolerance gradually to
    achieve number of symmetry operations <= 48, is implemented.

    * symmetry.c:
    In the symmetry operation search, rot[] and trans[] were used. Now
    they are replaced by Symmetry *symmetry in symmetry.c.

2013-04-14 Atsushi Togo <atz.togo@gmail.com>

    * Fortran interface given by Dimitar Pashov:

    The new fortran interface is given by Dimitar Pashov, which is
    much safer than the previous one. The new fortran interface, its
    example, and makefile are found in the example directory as
    spglib_f08.f90, example_f08.f90 and Makefile_f08.

    * spglib.h, spglib.c, kpoint.h, kpoint,c:

    Symprec parameter was removed from spg_get_stabilized_reciprocal_mesh.

2013-01-28 Atsushi Togo <atz.togo@gmail.com>

    * spglib.c, spglib_f.c:

    Pointed out by Michael Rutter that the length of characters of
    space-group type symbol (International table) was wrong in
    spglib_f.c. That of Schoenflies symbol was also found wrong. The
    former and latter were fixed as from 21 to 11 and from 10 to 7,
    respectively.

2012-10-10 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.3

    Rethink algorithms to search symmetry operations for speed-up and
    stability. Many small modifications are applied. Some parts of the
    codes that look unnecessary were removed but this change might
    make the code unstable.

    * symmetry.c (get_translation):

    Improve OpenMP efficiency. Number of atoms to enable OpenMP
    concurrency is set as 1000 (NUM_ATOMS_CRITERION_FOR_OPENMP).

2012-10-09 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c (sym_get_pure_translation, get_translation):

    In 'sym_get_pure_translation', iterative approach to search
    pure_translation was employed. But 'sym_get_pure_translation' was
    only used from two functions in primitive.c. In these two
    functions, tolerance is iteratively reduced when the search
    fails. Because there is no need to do iteration twice, the
    iteration part in 'sym_get_pure_translation' was removed.

    * primitive.{c,h}:

    'get_primitive_with_pure_translation' was replaced by
    'get_primitive_and_pure_translation'. The former was only used
    from 'get_operation' in symmetry.c and the iterative approach was
    implemented in 'get_operation'. The iterative part was moved into
    'get_primitive_and_pure_translation'.

    The Primitive structure was defined in primitive.h. This just
    packs Cell * primitive_cell and VecDBL * pure_trans. The Primitive
    structure is only used in 'get_operation' in symmetry.c and
    '(prm_)get_primitive_and_pure_translation' in primitive.c.

2012-10-08 Atsushi Togo <atz.togo@gmail.com>

    * spacegroup.c (get_hall_number_local_iteration):

    REDUCE_RATE to reduce number of symmetry operations is changed
    from 0.2 to 0.95. Symmetry operations depend on tolerance
    delicately.

    * Remove many lines of debug_print:

    Now to follow the flow is more important than to see the
    detailed behavior of implementation.

2012-10-03 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.2.5
    * primitive.c:

    Separate out get_primitive_with_mapping_table from
    prm_get_primitive_with_mapping_table. Rename
    prm_get_primitive_with_all to
    get_primitive_with_pure_translation.
    In get_primitive_with_pure_translation, it was
      if (pure_trans->size > 0)
    but not it was fixed to
      if (pure_trans->size > 1)
    not to search primitive cell when pure_trans->size == 1.

2012-10-01 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.2.4
    * kpoint.c (get_ir_reciprocal_mesh):

    In spglib, k-point grid is indexed as, for example,

    0 1 2 3 4 5 6 -5 -4 -3 -2 -1

    for 12 points mesh. Now the different index style such as

    0 1 2 3 4 5 -6 -5 -4 -3 -2 -1

    is activated by CFLAGS='-DGRID_BOUNDARY_AS_NEGATIVE' before
    running configure script at the compilation time.

    * symmetry.c (get_operation):

    In the iterative reduction of tolerance of primitive cell search,
    pure_trans was searched by a fixed tolerance rather than the
    reduced one. This is fixed to use the reduced tolerance at each
    iteration.

2012-08-13 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.2.3
    * symmetry.c (is_identity_metric):

    To check identity of metric tensors, too small angle induces
    numerical size error, so if the dtheta is calculated smaller than
    1e-6, automatically set the angles be identical.

    * spacegroup.c (get_hall_number_local_iteration):

    Implementation of iterative reduction of symmetry tolerance to
    search symmetry operation to get Hall symbol is separated as the
    function get_hall_number_local_iteration and the tolerance
    reduction rate of REDUCE_RATE is changed from 0.2 from 0.95.

2012-07-17 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.2.2
    * lattice.c (get_centering):

    Transformation A-centring monoclinic lattice to C-centring
    monoclinic lattice preserving b-axis is not well handled and now
    the matrix 'monocli_a2c' is used for it.

2012-07-14 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.2.1
    * pointgroup.c (laue_one_axis):

    Transformation matrix is expected to be always positive, but it
    was not correctly implemented.

2012-05-28 Atsushi Togo <atz.togo@gmail.com>

    * refinement.c (reduce_symmetry_in_frame):

    Fix memory leak by freeing lattice_trans.

2012-04-26 Atsushi Togo <atz.togo@gmail.com>

    The numbering of the hall symbol is included in the 'struct
    SpglibDataset'. This starts from 1 to 530.

2012-04-25 Atsushi Togo <atz.togo@gmail.com>

    * spglib.c, spglib.h:

    To find symmetry with angle tolerance, for spg_* functions,
    respective spgat_* functions are prepared. In the spgat_*
    functions, the last variable is the angle tolerance (in degrees).

    * symmetry.c:

    The way to find lattice symmetry is changed. Now a new static
    variable, 'angle_tolerance', can be used for the tolerance of
    angle. Therefore the non-diagonal elements of metric tensor are
    directly compared with this angle. 'angle_tolerance' can be
    accessed via 'sym_set_angle_tolerance' inside spglib. However the
    default behavior does not use the angle tolerance. In the default
    behavior, averaged_lattice_vector_length * sin(delta_theta) is
    compared with usual 'symprec'. The default behavior is invoked
    when 'angle_tolerance' has negative value. These are implemented
    in 'is_identity_metric' in symmetry.c.

2012-04-12 Atsushi Togo <atz.togo@gmail.com>

    * lattice.c (get_centering):

    Correction matrix for I-centring monoclinic was implemented.

2012-03-03 Atsushi Togo <atz.togo@gmail.com>

    * primitive.c:

    The functions of 'prm_get_current_tolerance',
    'set_current_tolerance' and the value of static double
    current_tolerance were introduced in 'primitive.c'. These are used
    to return reduced tolerance value that is iteratively determined
    in 'prm_get_primitive_with_mapping_table'.

    The iterative technique is used in several parts to obtain
    possible primitive cell parameters by reducing symmetry
    tolerance. Only in 'get_overlap_table' in 'primitive.c', the
    iterative technique is used with reducing and increasing the
    tolerance, i.e., in the other parts, only reducing.

2012-03-02 Atsushi Togo <atz.togo@gmail.com>

    * Version 1.1.2
    * refinement.c, primitive.c, symmetry.c:

    Modifications at many small parts of the code for improve
    robustness with large symmetry tolerance values.

2012-02-28 Atsushi Togo <atz.togo@gmail.com>

    * primitive.c (get_overlap_table):

    Simplify the algorithm for search overlapping table. The new
    algorithm is as follows: Symmetry tolerance monotonically
    decreases by REDUCE_RATE = 0.95 when the search is failed. When
    number of overlapping atoms is found smaller than the ratio of
    number of atoms between original and primitive cells, the symmetry
    tolerance is doubled. For this algorithm, 'check_overlap_table'
    function was implemented.

2012-02-09 Atsushi Togo <atz.togo@gmail.com>

    * spin.{c,h}:

    'spin.{c,h}' are added. Colliear spins on atoms are employed as
    additional constraints to search symmetry. The API is
    'spg_get_symmetry_with_collinear_spin'. (reduce_symmetry_in_frame):

    Bug fix to get refined symmetry operations. When the original cell
    is not primitive and the lattice symmetry is lower than that
    primitive lattice, the symmetry of primitive has to be
    reduced to those belongs to the lower symmetry. But this was not
    correctly done.

2011-10-05 Atsushi Togo <atz.togo@gmail.com>

    * spglib.c (spg_get_pointgroup):

    'spg_get_pointgroup' is implemented. This is used to obtain point
    group symbols.

2011-09-30 Atsushi Togo <atz.togo@gmail.com>

    * site_symmetry.c (get_Wyckoff_notation):

    Bug fix of assignment of Wyckoff letters
    'sitesym_database.c' is compressed. Now only the first element of
    'coordinates' is used to assign a Wyckoff letter.

2011-08-09 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c (sym_get_pure_translation):

    Iterative reduction of symmetry tolerance to find pure
    translations is implemented as well as different parts.

2011-07-29 Atsushi Togo <atz.togo@gmail.com>

    * kpoint.c, kpoint.h:

    symmetry_kpoint.c and symmetry_kpoint.h are renamed as kpoint.c
    and kpoint.h, respectively.

2011-07-06 Atsushi Togo <atz.togo@gmail.com>

    * site_symmetry.c:

    A set of equivalent atoms is returned. It is accessible
    through spg_get_dataset. (spglib-1.0.7)

2011-07-05 Atsushi Togo <atz.togo@gmail.com>

    * site_symmetry.c, sitesym_database.c, spglib-1.0.6:

    Newly added two source files (and also *.h). The part related to
    site symmetry in refinement.c is moved to site_symmetry.c. Wyckoff
    position determination is implemented in site_symmetry.c and the
    database is in sitesym_database.c. The pointers in the structure
    SpglibDataset are made free by calling spg_free_dataset. It was
    difficult to implement Wyckoff position determination without
    Yusuke Seko's formatted crystallographic database. I appreciate his
    kind offer. (spglib-1.0.6)

    * primitive.c (prm_get_primitive):

    The function is modified to return mapping table from input cell
    to primitive cell as the first argument.

2011-06-18 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c:

    OpenMP is included to search translations with each rotation.
    Compilation with gcc is achived by '-lgomp' and '-fopenmp'.

    * refinement.c:

    Performance tuning was made for 'get_refined_symmetry_operations'.

2011-06-18 Atsushi Togo <atz.togo@gmail.com>

    * refinement.c:

    In 'ref_get_refined_symmetry_operations', it was forgotten to
    consider origin shift to obtain symmetry operations from
    database. This is fixed by modifying translations in
    'set_translation_with_origin_shift'.

2011-06-15 Atsushi Togo <atz.togo@gmail.com>

    * spglib-1.0.4:

    The new version of spglib is released. To the next version,
    implementation of Wyckoff positions is planed.

2011-06-15 Atsushi Togo <atz.togo@gmail.com>

    * pyspglib:

    pyspglib didn't work correctly. It was fixed.

2011-06-15 Atsushi Togo <atz.togo@gmail.com>

    * spglib.c:

    A new function 'spg_get_dataset is implemented. This returns a
    'SpglibDataset' type structure that is defined in 'spglib.h'. This
    includes refined informations of crystal symmetry. For example,
    the symmetry operations are derived based on the operations in
    database and so they are different from those obtained from
    'spg_get_symmetry'. Wyckoff positions are to be implemented.

2011-06-13 Atsushi Togo <atz.togo@gmail.com>

    * spg_database.c:

    A static array of 'symmetry_operations' is compressed because it
    was very large. It contains symmetry operations of 530 hall
    symbols. Each space group operation requires a rotation 3x3 matrix
    and a translation vector, therefore 12 elements were implemented
    for that. Now it is compressed using ternary numerical system for
    rotation and duodecimal system for translation. This is achieved because
    each element of rotation matrix can have only one of {-1,0,1}, and
    the translation can have one of {0,2,3,4,6,8,9,10} divided by
    12. Therefore 3^9 * 12^3 = 34012224 different values can map space
    group operations. In principle, octal numerical system can be used
    for translation, but duodecimal system is used for the convenient.
    The fact that determinant of rotation matrix is -1 or 1 could be
    used as a constraint to reduce the number of mapping space. These
    may be implemented if more compression is required.

2011-06-10 Atsushi Togo <atz.togo@gmail.com>

    * spglib.c:

    spg_show_symmetry was removed.

2011-05-17 Atsushi Togo <atz.togo@gmail.com>

    * primitive.c, etc

    A tolerance to find primitive lattice vectors sometimes fails
    because found pure translations do not give possible lattice
    vectors in which the volume ratio of the input cell and primitive
    cell does not match to the number of pure translations. So
    iterative tolerance reduction is implemented. The reduced
    tolerance should be used to find spacegroup and refined cell
    because to hold consistency with symmetry operations to be found
    for primitive cell. The reduced tolerance is not used inside
    symmetry operation search. The tolerance used to find primitive
    cell is stored in a static variable 'tolerance' in primitive.c and
    this can be accessed via prm_get_tolerance().

    Old 'prm_get_primitive' was removed and new one is that of
    'prm_get_primitive_with_pure_trans' renamed. So now pure
    translations are always required to call to obtain primitive cell.

    When calling 'prm_get_primitive' and if the input cell is already
    primitive, primitive->size=0 was returned in the previous
    implementation, but in the new implementation, primitive cell that
    has smallest lattice vectors is returned.

2011-04-21 Atsushi Togo <atz.togo@gmail.com>

    * refinement.c (refine_cell):

    When an input structure is a primitive cell but the lattice is not
    smallest, 'refine_cell' didn't work correctly. This is fixed by
    using new function of 'prm_get_cell_with_smallest_lattice' in
    primitive.c. This function was originally in spacegroup.c as
    'get_cell_with_smallest_lattice'. Following this, spacegroup.c,
    primitive.c, and primitive.h were modified.

2011-03-18 Atsushi Togo <atz.togo@gmail.com>

    * spglib-1.0.3.1:

    A critical bug in the structure refinement in refinement.c was
    removed. A tolerance parameter in hall_symbol.c came back to
    is_hall_symbol.

2011-03-15 Atsushi Togo <atz.togo@gmail.com>

    * spglib-1.0.3:

    Crystal structure refinement by spg_refine_cell is
    implemented. Code around tolerance is tuned up, hopefully
    becoming more robust with large tolerance.

    * refinement.c:

    bravais.{c,h} are renamed to refinement.{c,h}.

2011-03-14 Atsushi Togo <atz.togo@gmail.com>

    * debug.h (SPGWARNING):

    Debug option of SPGWARNING has been defined. This may be used for
    beta-tests.

    * bravais.c, spacegrouop.c, hall_symbol.c, lattice.c, primitive.c:

    Tolerance parameter has been reconsidered to make finding
    spacegroup robust with a loose tolerance value. Tolerance is used
    for Cartesian distance, norm squared, or volume. It wold be
    avoided for ratio, reduced position or distance.

    * bravais.c:

    Exact locations of atoms are obtained by get_exact_location in
    bravais.c.

    * sapcegroup.c:

    Iterative search for hall symbol is implemented in
    get_hall_number. The tolerance is sequentially reduced until
    finding a hall symbol. With the reduced tolerance, symmetry
    operations are researched by sym_reduce_operation. The cost of the
    reduction of symmetry operations is expected much smaller than that
    of the increase of symmetry operations with increasing tolerance.

    * hall_symbol.c:

    All tolerance parameters were kicked out.

    * lattice.c:

    get_base_center is modified to remove the tolerance parameter. The
    centring check is now based on
    integers. lat_smallest_lattice_vector returns 1 or 0 to show if
    the lattice has non-zero volume or not.

    * primitive.c:

    Primitive lattice is made of pure translations. Previously the
    primitive lattice vectors are constructed from pure
    translations. Currently, it is set such that the primitive lattice
    parameters multiplied with 'integers' become the original
    lattice parameters.

    * mathfunc.c (mat_is_int_matrix):

    A macro of INT_PREC (currently set 0.1 ) is used for checking a
    value is integer or not in mat_is_int_matrix.

2011-02-18 Atsushi Togo <atz.togo@gmail.com>

    * spglib-1.0.2:

    Bug fix in finding lattice point symmetry (symmetry.c).
    spg_get_bravais is added and spg_get_international_with_bravais
    was removed.

2010-12-26 Atsushi Togo <atz.togo@gmail.com>

    * spglib-1.0.1:

    By the help of Pawel T. Jochym, the setup.py in the ASE-interface,
    pysgpblib, has been updated for matching the latest spglib.

2010-11-08 Atsushi Togo <atz.togo@gmail.com>

    * spglib-1.0.0:

    A lot of source code was re-written for this one month. This
    release contains the algorithms of symmetry operation finding and
    space-group type determination which are different from the
    versions before spglib 0.7.4.

2010-11-08 Atsushi Togo <atz.togo@gmail.com>

    Algorithm to search basis vectors is changed to that of
    [Grosse-Kunstleve, Acta Cryst. A55, 383-395 (1999)], which is
    implemented in lattice.c. bravais.{c,h}, bravais_virtual.{c,h} are
    removed.  spacegroup_type.{c,h} are moved to spacegroup.{c,h}.

2010-11-05 Atsushi Togo <atz.togo@gmail.com>

    * lattice.c:

    lattice.c and lattice.h are added. Delaunay reduction is moved
    there from bravais.c.

2010-11-02 Atsushi Togo <atz.togo@gmail.com>

    * spglib 1.0-beta:

    New release under the modified BSD license.

    * pointgroup.c:

    Sometimes symmetry operations that don't match point-group type
    can be found. In the current implementation, some of non-necessary
    operations are abandoned. For this, get_cast_symmetry,
    check_pointgroup_condition, ptg_get_symmetry_pointgroup are added.
    However still this implementation is not perfect. Maybe another
    strategy is required.

2010-10-27 Atsushi Togo <atz.togo@gmail.com>

    * primitive.c:

    trim_cell is divided into trim_cell, set_primitive_positions,
    get_positions_primitive, get_overlap_table. is_overlap is
    modified to check Cartesian distance, and moved to cel_is_overlap
    in cell.c.

    * symmetry.c (get_translation):

    Atomic position overlap check part is modified to use
    cel_is_overlap.

    * cell.c:

    cel_frac_to_cart and cel_cart_to_frac are removed.

2010-10-25 Atsushi Togo <atz.togo@gmail.com>

    * bravais_arc.* is renamed to bravais_virtual.*

    The function is_holohedry is removed.

    * bravais.c:

    brv_set_relative_lattice is added. brv_get_brv_lattice_in_loop is
    modified for handling RHOMB case flexibly. get_metric was removed
    and moved to mathfunc.c as mat_get_metric.

    * pointgroup.c:

    The first argument of ptg_get_holohedry is removed, which was used
    just for debugging.

    * symmetry.c:

    get_space_group_operation is separated from
    get_operation. sym_get_operation_direct, set_axes and
    get_lattice_symmetry are newly added. sym_get_operation_direct is
    the function for finding symmetry operations without relying on
    Bravais lattice. The lattice symmetry is exhaustively searched
    through the matrices whose elements are -1, 0, or 1.

    * mathfunc.c:

    mat_get_metric and mat_check_identity_matrix_d3 are added.

2010-10-22 Atsushi Togo <atz.togo@gmail.com>

    * bravais.c:

    The names of local functions starting with brv_... is changed to
    get_brv_.... Add functions get_brv_cubic_primitive,
    get_brv_tetra_primitive, get_brv_ortho_primitive to find more
    variety of lattice transformation matrices.

2010-10-22 Atsushi Togo <atz.togo@gmail.com>

    The space group type finder is replaced completely. spacegroup.*,
    spacegroup_data.*, spacegroup_database.* are
    removed. spacegroup_type.*, spg_database.*, and hall_symbol.* are
    added. The helper tools to create hall symbol related database are
    in database directories.

2010-10-09 Atsushi Togo <atz.togo@gmail.com>

    spglib-0.7.4 is released.

    cel_new_cell is renamed to cel_alloc_cell, and cel_alloc_cell
    returns a pointer of the Cell structure. cel_delete_cell is renamed
    to cel_free_cell.

    sym_new_symmetry is renamed to sym_alloc_symmetry, and
    sym_alloc_symmetry returns a pointer of the Symmetry
    structure. sym_delete_symmetry is renamed to sym_free_symmetry.

    The other functions returns Cell and Symmetry structures are
    modified to return those pointers.

2010-10-05 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c (get_index_with_least_atoms):

    To search translation, it is efficient if an atom in least atoms
    with an atomic type is used for the search origin. This function
    looks for it. This is expected to accelerate especially when the
    cell is huge and the lattice has high symmetry, but the number of
    atoms of some atomic type is few.

2010-10-04 Atsushi Togo <atz.togo@gmail.com>

    * primitive.c (prm_get_primitive_with_pure_trans):

    Create new function 'prm_get_primitive_with_pure_trans' to avoid
    searching same pure translations many times, which leads some
    speed up.

2010-09-26 Atsushi Togo <atz.togo@gmail.com>

    'const' of multidimensional arrays are removed. Just to notify it
    should be 'const', 'SPGCONST' replaces those 'const', however it
    is defined as nothing in mathfunc.h. This is done because of
    avoiding lots of warning in C-compiler of 'gcc: incompatible
    pointer type'.

    * spglib_f.c:

    spglib_f.c is updated and some examples are found in example.f90.

2010-04-12 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c, mathfunc.c:

    To make the translations clean, sym_get_fractional_translation in
    symmetry.c and mat_Dmod1 in mathfunc.c are
    added. sym_get_fractional_translation is supposed to look for the
    translation that is most closest to one of 0, 1/6,
    1/4, 1/3, 1/2, 2/3, 3/4, and 5/6. The first implementation
    contained a bug and Jorg Meyer solved this.

2010-03-25 Atsushi Togo <atz.togo@gmail.com>

    * bravais_art.c:

    Space group of the virtual structures in the test directory
    failed. Fixed points are as follows:
    P-Cubic, P-Tetra, P-Ortho to Base center monoclinic, which was
    collect in the old code, and I-Cubic to F-Orthorhombic.
    Cubic to Rhombohedral. To obtain correct principal axes,
    'is_rhombo' was implemented.

2010-03-22 Atsushi Togo <atz.togo@gmail.com>

    * spglib.h, spglib.c:

    spg_get_bravais_lattice is removed.

    spg_get_conventional_symmetry is implemented. This is used to get
    symmetry operations for the conventional unit cell. The
    conventional unit cell is searched from the primitive cell found
    from the input cell, i.e., even if the input cell is not
    primitive, the primitive cell is automatically searched and the
    conventional cell is determined. The Bravais lattice of the
    conventional cell is returned as bravais_lattice. This
    bravais_lattice is found including the internal atomic
    positions. Therefore artificial cell is expected to be handled
    correctly.

2010-02-11 Atsushi Togo <atz.togo@gmail.com>

    * primitive.c:

    There was a problem that primitive cell is not well found in naive
    cases (inconsistency between tolerances in finding pure
    translations and in finding overlapping atoms). David Lonie
    implemented an iterative way to adjust symmetry finder tolerance
    on the fly.

2009-07-15 Atsushi Togo <atz.togo@gmail.com>

    * bravais.c:

    Bug to find bravais lattice in FCC and rhombohedral, when the cell
    is a supercell. This is probably ad-hoc fix.

2009-05-19 Atsushi Togo <atz.togo@gmail.com>

    * symmetry_kpoint.c:

    Time reversal symmetry is included.

    * bravais.c (brv_smallest_lattice_vector):

    Delaunay reduction is implemented instead of ABINIT
    implementation.

2009-03-09 Atsushi Togo <atz.togo@gmail.com>

    * symmetry.c:

    Critical bug for finding symmetry for primitive cell which is
    reduced from conventional cell.

2009-03-05 Atsushi Togo <atz.togo@gmail.com>

    * symmetry_kpoint.c:

    Functions to look for the irreducible points in reciprocal space
    are implemented.

2009-02-25 Atsushi Togo <atz.togo@gmail.com>

    * bravais_art.c:

    Hexagonal to Orthorhombic symmetry lowering case is implemented.

    * python module:

    Python module is implemented. To use them, numpy is
    required. Interface for ASE is implemented.

2008-08-22 Atsushi Togo <atz.togo@gmail.com>

    * bravais_art.c:

    This file is used for the cases that the lattice has higher
    symmetry than the symmetry given by atomic positions. This does
    not affect to the symmetry operations that is firstly obtained by
    assuming the bravais lattice having high symmetry. Thus this file
    works only for changing its bravais lattice. The information about
    bravais lattice is used for only determining space group. Even if
    the code in this file fails, or let's say, space group
    determination fails), we can not say the symmetry operations are
    wrong.

2008-07-11 Atsushi Togo <atz.togo@gmail.com>

    * Most of the code

    The procedure for searching a Bravais lattice from a primitive
    cell is rewritten. The algorithm is also totally changed.

    * test directory

    For the test of space group search, 'test' directory is
    created. Many POSCAR's are prepared in this directory. For running
    tests, a small ruby code is written and put into this directory.

2008-05-28 Atsushi Togo <atz.togo@gmail.com>

    * spacegroup_data.c (get_spacegroup_data_special_case):

    Bug fix for space group determinations for special cases (Pcc2,
    Pbam, Pccn).

2008-05-25 Atsushi Togo <atz.togo@gmail.com>

    * *.c, *.h :

    Many codes are re-built. Many functions are changed to
    "static". The first three characters of public functions are
    re-named using those file names.

    * bravais.c :

    Monoclinic is possibly improved. Monoclinic is difficult. It may
    contain further bugs...

2008-05-01 Atsushi Togo <atz.togo@gmail.com>

    * spacegroup.c (get_proper_rotation_class_6axis):

    exit(1) is inserted.

    * bravais.c/h:

    "lattice_symmetry" is removed from the "Bravais" structure.

    * spglib.h:

    Misspelled function prototypes of spg_get_symmetry and
    spg_check_symmetry are corrected.

2008-04-23 Atsushi Togo <atz.togo@gmail.com>

    * Many patches by Xavier Andrade

    For fixing many warning in many codes and gcc-4.3 related problem
    in bravais.c.
