Spglib

https://spglib.readthedocs.io
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### Build and install spglib in _build directory (Unix-like)

Source: https://spglib.readthedocs.io/en/stable/_sources/install.md

Build and install spglib using CMake, with the installation prefix set to the default location.

```bash
mkdir _build
cd _build
cmake ..
cmake --build .
cmake --install .
```

--------------------------------

### Build and install spglib under parent directory (Unix-like)

Source: https://spglib.readthedocs.io/en/stable/_sources/install.md

Build and install spglib using CMake, specifying the installation prefix to be the parent directory.

```bash
mkdir _build
cd _build
cmake -DCMAKE_INSTALL_PREFIX=.. ..
cmake --build .
cmake --install . --prefix ..
```

--------------------------------

### Install Spglib using pip (from source)

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

Install spglib using pip after cloning the source code. This is the primary method for production.

```bash
pip install .
```

--------------------------------

### Error Handling Usage Example

Source: https://spglib.readthedocs.io/en/stable/api.html

Demonstrates how to get and print the spglib error code and message. Remember that these functions are not thread-safe.

```c
SpglibError error;
error = spg_get_error_code();
printf("%s\n", spg_get_error_message(error));

```

--------------------------------

### Install Spglib using Conda

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Install spglib using the conda package manager from the conda-forge channel. This is an alternative installation method.

```console
conda install -c conda-forge spglib
```

--------------------------------

### Get Symmetry Dataset with Swapped Axes

Source: https://spglib.readthedocs.io/en/stable/_sources/definition.md

This example shows how swapping the lattice basis vectors (a and c axes) affects the transformation matrix and origin shift when determining the symmetry dataset. It highlights how spglib standardizes crystal structures.

```python
# Mind that the a, b, c axes are given in row vectors here,
# but the formulation above is given for the column vectors.
lattice = [[8.57154746, 0, 0],  # a
            [0, 3.99943947, 0],  # b
            [0, 0, 7.17851431]]  # c
points = [[0.1203133, 0.84688439, 0.0],
            [0.6203133, 0.65311561, 0.0],
            [0.3796867, 0.34688439, 0.0],
            [0.8796867, 0.15311561, 0.0],
            [0.1203133, 0.34688439, 0.5],
            [0.6203133, 0.15311561, 0.5],
            [0.3796867, 0.84688439, 0.5],
            [0.8796867, 0.65311561, 0.5]]
numbers = [35,] * len(points)
cell = (lattice, points, numbers)
dataset = spglib.get_symmetry_dataset(cell)
print("Space group type: %s (%d)"
        % (dataset['international'], dataset['number']))
print("Transformation matrix:")
for x in dataset['transformation_matrix']:
    print("  %2d %2d %2d" % tuple(x))
print("Origin shift: %f %f %f" % tuple(dataset['origin_shift']))
```

--------------------------------

### Install Spglib using pip

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

Use this command to install the latest release of spglib from PyPI.

```bash
$ pip install spglib
```

--------------------------------

### Install Spglib with OpenMP support

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

Configure the pip installation to enable OpenMP support by passing a CMake setting.

```bash
pip install . --config-settings=cmake.define.SPGLIB_USE_OMP=ON
```

--------------------------------

### Build and install spglib on Windows & Cygwin

Source: https://spglib.readthedocs.io/en/stable/_sources/install.md

Build and install spglib on Windows or Cygwin using CMake, with a specific configuration for Windows path compatibility.

```bash
cmake -DCMAKE_INSTALL_PREFIX="$(shell cygpath -w "${BUILD_DIR}")" ..
cmake --build . --config Release
cmake --install . --config Release
```

--------------------------------

### Install Spglib using conda

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

Install spglib from the conda-forge channel using the conda package manager.

```bash
$ conda install -c conda-forge spglib
```

--------------------------------

### Get Version Full

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Gets the full spglib version information.

```APIDOC
## spg_get_version_full()

### Description
Gets the full spglib version information.

### Returns
str
The full spglib version string.
```

--------------------------------

### Example Crystal Structure (L12-type AlNi3)

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

This example demonstrates the `cell` tuple format for the L12-type AlNi3 crystal structure, specifying lattice, atomic positions, and species numbers.

```python
lattice = [[1.0, 0.0, 0.0],
            [0.0, 1.0, 0.0],
            [0.0, 0.0, 1.0]]
positions = [[0.0, 0.0, 0.0], # Al
            [0.5, 0.5, 0.0], # Ni
            [0.0, 0.5, 0.5], # Ni
            [0.5, 0.0, 0.5]] # Ni
numbers = [1, 2, 2, 2]        # Al, Ni, Ni, Ni

```

--------------------------------

### Get Symmetry Dataset after Rigid Rotation

Source: https://spglib.readthedocs.io/en/stable/_sources/definition.md

This example demonstrates how a rigid rotation of the crystal structure in Cartesian coordinates affects the symmetry dataset, specifically the transformation matrix and origin shift. It shows that the transformation matrix may remain unchanged while the origin shift can vary.

```python
# Mind that the a, b, c axes are given in row vectors here,
# but the formulation above is given for the column vectors.
lattice = [[5.0759761474456697, 5.0759761474456697, 0],  # a
            [-2.8280307701821314, 2.8280307701821314, 0],  # b
            [0, 0, 8.57154746]]  # c
points = [[0.0, 0.84688439, 0.1203133],
            [0.0, 0.65311561, 0.6203133],
            [0.0, 0.34688439, 0.3796867],
            [0.0, 0.15311561, 0.8796867],
            [0.5, 0.34688439, 0.1203133],
            [0.5, 0.15311561, 0.6203133],
            [0.5, 0.84688439, 0.3796867],
            [0.5, 0.65311561, 0.8796867]]
numbers = [35,] * len(points)
cell = (lattice, points, numbers)
dataset = spglib.get_symmetry_dataset(cell)
print("Space group type: %s (%d)"
        % (dataset['international'], dataset['number']))
print("Transformation matrix:")
for x in dataset['transformation_matrix']:
    print("  %2d %2d %2d" % tuple(x))
print("Origin shift: %f %f %f" % tuple(dataset['origin_shift']))
```

--------------------------------

### Crystal Structure Basis Vectors Example

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Example of how to define basis vectors for a crystal structure. This is a required component for defining a cell.

```python
[[a_x, a_y, a_z],
 [b_x, b_y, b_z],
 [c_x, c_y, c_z]]
```

--------------------------------

### Get Grid Points By Rotations

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Generates grid points from rotation matrices.

```APIDOC
## get_grid_points_by_rotations(rotations, mesh)

### Description
Generates grid points from rotation matrices.

### Parameters
- **rotations**: list of lists of lists of floats
    A list of rotation matrices.
- **mesh**: list of ints
    The mesh size [nx, ny, nz].

### Returns
tuple
A tuple containing:
- grid points
- weights
- grid address
- ir_grid_point_map
```

--------------------------------

### Example Lattice Initialization

Source: https://spglib.readthedocs.io/en/stable/_sources/api.md

A possible default initialization for the lattice parameter when the exact lattice is unknown but symmetry operations are provided.

```c
lattice[3][3] = {{1, 0, 0}, {0, 1, 0}, {0, 0, 1}};
```

--------------------------------

### Display Help for Ruby Interface Script

Source: https://spglib.readthedocs.io/en/stable/_sources/interface.md

This command shows how to display the available options and usage instructions for the Ruby interface script 'symPoscar.rb'.

```bash
% ruby symPoscar.rb --help
```

--------------------------------

### Get Commit

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Gets the spglib commit hash.

```APIDOC
## spg_get_commit()

### Description
Gets the spglib commit hash.

### Returns
str
The spglib commit hash string.
```

--------------------------------

### Get Error Message

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Gets the error message from spglib.

```APIDOC
## get_error_message()

### Description
Gets the error message from spglib.

### Returns
str
The error message string.
```

--------------------------------

### Build Spglib with CMake (development)

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

Build spglib using CMake, enabling Fortran support. This method is for development and not recommended for production.

```bash
cmake -B ./build -DSPGLIB_WITH_Fortran=ON
cmake --build ./build
cmake --install ./build
```

--------------------------------

### Run Ruby Interface Script with Options

Source: https://spglib.readthedocs.io/en/stable/interface.html

This command demonstrates how to run the `symPoscar.rb` script with options for refining structure and outputting symmetry operations.

```bash
% ruby symPoscar.rb POSCAR -s 0.1 -o -l

```

--------------------------------

### Extract and navigate spglib source

Source: https://spglib.readthedocs.io/en/stable/_sources/install.md

Extract the spglib source tarball and navigate into the source directory.

```bash
tar xvfz spglib-2.0.0.tar.gz
cd spglib-2.0.0
```

--------------------------------

### Get Layer Group

Source: https://spglib.readthedocs.io/en/stable/_modules/spglib/_internal.html

A convenience function to get the layer group information, which internally calls `get_symmetry_layerdataset`. Returns None if the operation fails.

```python
from __future__ import annotations

import numpy as np
from numpy._typing import ArrayLike

from . import _spglib
from .error import _set_no_error, _set_or_throw_error
from .spg import SpgCell, SpglibDataset
from .utils import _expand_cell

__all__ = [
    "get_pointgroup",
    "get_symmetry_layerdataset",
    "get_layergroup",
    "get_grid_point_from_address",
    "get_stabilized_reciprocal_mesh",
    "get_grid_points_by_rotations",
    "get_BZ_grid_points_by_rotations",
    "relocate_BZ_grid_address",
]


def get_layergroup(
    cell: SpgCell,
    aperiodic_dir: int = 2,
    symprec: float = 1e-5,
) -> SpglibDataset | None:
    """Return layer group in ....

    If it fails, None is returned.

    """
    _set_no_error()

    try:
        return get_symmetry_layerdataset(
            cell,
            aperiodic_dir=aperiodic_dir,
            symprec=symprec,
            _throw=True,
        )
    except Exception as exc:
        _set_or_throw_error(exc)
        return None

```

--------------------------------

### get_spacegroup_type

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Gets space-group type information.

```APIDOC
## get_spacegroup_type

### Description
Gets space-group type information.

### Method
`spglib.spg.get_spacegroup_type(hall_number)`

### Parameters
- **hall_number** (int): The Hall number of the space group.

### Returns
- (dict): A dictionary containing space-group type information, or None if failed.
```

--------------------------------

### Get full spglib version string

Source: https://spglib.readthedocs.io/en/stable/_modules/spglib/utils.html

Retrieves the full version information of the detected spglib C library.

```python
import spglib

full_version = spglib.spg_get_version_full()
print(full_version)
```

--------------------------------

### Spglib Error Handling Example

Source: https://spglib.readthedocs.io/en/stable/_sources/api.md

Demonstrates how to retrieve and print the error message for the last spglib operation. Ensure this is used in a single-threaded context.

```c
SpglibError error;
error = spg_get_error_code();
printf("%s\n", spg_get_error_message(error));
```

--------------------------------

### get_symmetry_from_database

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get symmetry operations from database.

```APIDOC
## get_symmetry_from_database(hall_number)

### Description
Get symmetry operations from database.

### Parameters
* **hall_number** (int) - Hall number.

### Returns
Tuple of rotation matrices and translation vectors.
```

--------------------------------

### get_symmetry_dataset

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get symmetry dataset from cell.

```APIDOC
## get_symmetry_dataset(cell, symprec=1e-05, angle_tolerance=5.0)

### Description
Get symmetry dataset from cell.

### Parameters
* **cell** (tuple) - Lattice, positions, and numbers of atoms.
* **symprec** (float) - Symmetry precision.
* **angle_tolerance** (float) - Angle tolerance.

### Returns
SpglibDataset object.
```

--------------------------------

### Get Magnetic Dataset (Experimental)

Source: https://spglib.readthedocs.io/en/stable/_sources/api.md

Returns magnetic symmetry operations and standardized structure of a given structure with site tensors. Use tensor_rank=0 for collinear spins and tensor_rank=1 for non-collinear spins.

```c
SpglibMagneticDataset *spg_get_magnetic_dataset(
    const double lattice[3][3], const double position[][3],
    const int types[], const double *tensors, const int tensor_rank,
    const int num_atom, const int is_axial, const double symprec);
```

--------------------------------

### get_symmetry

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get symmetry operations from cell.

```APIDOC
## get_symmetry(cell, symprec=1e-05, angle_tolerance=5.0)

### Description
Get symmetry operations from cell.

### Parameters
* **cell** (tuple) - Lattice, positions, and numbers of atoms.
* **symprec** (float) - Symmetry precision.
* **angle_tolerance** (float) - Angle tolerance.

### Returns
Tuple of rotation matrices and translation vectors.
```

--------------------------------

### get_spacegroup

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get space group from symmetry.

```APIDOC
## get_spacegroup(cell, symprec=1e-05, angle_tolerance=5.0)

### Description
Get space group from symmetry.

### Parameters
* **cell** (tuple) - Lattice, positions, and numbers of atoms.
* **symprec** (float) - Symmetry precision.
* **angle_tolerance** (float) - Angle tolerance.

### Returns
String of space group.
```

--------------------------------

### Import spglib Module (Versions 1.9.x+)

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

For spglib versions 1.9.x and later, import the module directly using `from pyspglib import spglib`.

```python
from pyspglib import spglib

```

--------------------------------

### Manual transformation to primitive cell

Source: https://spglib.readthedocs.io/en/stable/definition.html

Demonstrates manual transformation of a non-primitive cell to a primitive cell using a transformation matrix. This is useful when you know the specific transformation required.

```python
lattice = [[7.17851431, 0, 0],  # a
           [0, 3.99943947, 0],  # b
           [0, 0, 8.57154746]]  # c


```

```python
lattice = [[7.17851431, 0, 0],  # a
           [0, 3.99943947, 0],  # b
           [0, 0, 8.57154746]]  # c
Pc = [[0.5, 0.5, 0],
      [-0.5, 0.5, 0],
      [0, 0, 1]]
print(np.dot(np.transpose(lattice), Pc).T)  # given in row vectors

```

--------------------------------

### get_hall_number_from_symmetry

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get Hall number from symmetry.

```APIDOC
## get_hall_number_from_symmetry()

### Description
Get Hall number from symmetry.

### Parameters
None

### Returns
Integer Hall number.
```

--------------------------------

### Manual Primitive Cell Transformation

Source: https://spglib.readthedocs.io/en/stable/_sources/definition.md

Demonstrates manual transformation of a C-centered non-primitive cell to a primitive cell using a transformation matrix.

```python
lattice = [[7.17851431, 0, 0],  # a
           [0, 3.99943947, 0],  # b
           [0, 0, 8.57154746]]  # c
Pc = [[0.5, 0.5, 0],
      [-0.5, 0.5, 0],
      [0, 0, 1]]
print(np.dot(np.transpose(lattice), Pc).T)  # given in row vectors
```

--------------------------------

### get_symmetry_from_database

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Gets symmetry dataset from the space-group database.

```APIDOC
## get_symmetry_from_database

### Description
Gets symmetry dataset from the space-group database.

### Method
`spglib.spg.get_symmetry_from_database(hall_number)`

### Parameters
- **hall_number** (int): The Hall number of the space group.

### Returns
- (dict): A dictionary containing the symmetry dataset, or None if failed.
```

--------------------------------

### Get Symmetry Dataset and Print Results

Source: https://spglib.readthedocs.io/en/stable/definition.html

Calculates the symmetry dataset for a given crystal structure and prints the international space group name, number, transformation matrix, and standardized lattice after idealization. Requires the spglib library.

```python
# Mind that the a, b, c axes are given in row vectors here,
# but the formulation above is given for the column vectors.
lattice = [[5.0759761474456697, 5.0759761474456697, 0],  # a
            [-2.8280307701821314, 2.8280307701821314, 0],  # b
            [0, 0, 8.57154746]]  # c
points = [[0.0, 0.84688439, 0.1203133],
            [0.0, 0.65311561, 0.6203133],
            [0.0, 0.34688439, 0.3796867],
            [0.0, 0.15311561, 0.8796867],
            [0.5, 0.34688439, 0.1203133],
            [0.5, 0.15311561, 0.6203133],
            [0.5, 0.84688439, 0.3796867],
            [0.5, 0.65311561, 0.8796867]]
numbers = [35,] * len(points)
cell = (lattice, points, numbers)
dataset = spglib.get_symmetry_dataset(cell)
print("Space group type: %s (%d)"
        % (dataset['international'], dataset['number']))
print("Transformation matrix:")
for x in dataset['transformation_matrix']:
    print("  %2d %2d %2d" % tuple(x))
print("std_lattice_after_idealization:")
print(dataset['std_lattice'])

```

--------------------------------

### get_spacegroup

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Gets space-group symbol of a crystal structure.

```APIDOC
## get_spacegroup

### Description
Gets space-group symbol of a crystal structure.

### Method
`spglib.spg.get_spacegroup(cell, symprec=1e-05, angle_tolerance=-1.0)`

### Parameters
- **cell** (tuple): A tuple representing the crystal cell: (lattice, positions, numbers).
- **symprec** (float, optional): Symmetry precision. Defaults to 1e-05.
- **angle_tolerance** (float, optional): Angle tolerance. Defaults to -1.0 (automatic).

### Returns
- (str): The space-group symbol string, or None if failed.
```

--------------------------------

### get_symmetry_dataset

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Gets symmetry dataset of a crystal structure.

```APIDOC
## get_symmetry_dataset

### Description
Gets symmetry dataset of a crystal structure.

### Method
`spglib.spg.get_symmetry_dataset(cell, symprec=1e-05, angle_tolerance=-1.0)`

### Parameters
- **cell** (tuple): A tuple representing the crystal cell: (lattice, positions, numbers).
- **symprec** (float, optional): Symmetry precision. Defaults to 1e-05.
- **angle_tolerance** (float, optional): Angle tolerance. Defaults to -1.0 (automatic).

### Returns
- (dict): A dictionary containing the symmetry dataset, or None if failed.
```

--------------------------------

### Generate and Print Irreducible k-points (With Shift)

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Generates irreducible k-points for a given mesh and cell with a shift applied, then prints the mapping of all k-points to irreducible grid points and the coordinates of the irreducible k-points, including the shift offset.

```python
#
# With shift
#
mapping, grid = spglib.get_ir_reciprocal_mesh(mesh, cell, is_shift=[1, 1, 1])

# All k-points and mapping to ir-grid points
for i, (ir_gp_id, gp) in enumerate(zip(mapping, grid)):
    print("%3d ->%3d %s" % (i, ir_gp_id, (gp + [0.5, 0.5, 0.5]) / mesh))

# Irreducible k-points
print("Number of ir-kpoints: %d" % len(np.unique(mapping)))
print((grid[np.unique(mapping)] + [0.5, 0.5, 0.5]) / mesh)
```

--------------------------------

### get_spacegroup_type_from_symmetry

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get space group type from symmetry.

```APIDOC
## get_spacegroup_type_from_symmetry(rotations, translations, symprec=1e-05, angle_tolerance=5.0)

### Description
Get space group type from symmetry.

### Parameters
* **rotations** (tuple of 3x3 matrices) - Rotation matrices of symmetry operations.
* **translations** (tuple of 3-element vectors) - Translation vectors of symmetry operations.
* **symprec** (float) - Symmetry precision.
* **angle_tolerance** (float) - Angle tolerance.

### Returns
SpaceGroupType object.
```

--------------------------------

### Import spglib module (v1.8.x-)

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Import the spglib module using the pyspglib alias for versions 1.8.x and earlier.

```python
from pyspglib import spglib
```

--------------------------------

### get_spacegroup_type

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.spg.html

Get space group type from symmetry.

```APIDOC
## get_spacegroup_type(cell, symprec=1e-05, angle_tolerance=5.0)

### Description
Get space group type from symmetry.

### Parameters
* **cell** (tuple) - Lattice, positions, and numbers of atoms.
* **symprec** (float) - Symmetry precision.
* **angle_tolerance** (float) - Angle tolerance.

### Returns
SpaceGroupType object.
```

--------------------------------

### Get BZ Grid Points by Rotations

Source: https://spglib.readthedocs.io/en/stable/_modules/spglib/_internal.html

Calculates grid points for Brillouin zone (BZ) after rotating an input grid address. Requires BZ map and supports optional grid shifts.

```python
_set_no_error()

    if is_shift is None:
        _is_shift = np.zeros(3, dtype="intc")
    else:
        _is_shift = np.array(is_shift, dtype="intc")

    if bz_map.dtype == "uintp" and bz_map.flags.c_contiguous:
        _bz_map = bz_map
    else:
        _bz_map = np.array(bz_map, dtype="uintp")
```

--------------------------------

### get_symmetry_from_database(hall_number)

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Gets symmetry operations from the Hall number.

```APIDOC
## Function: get_symmetry_from_database(hall_number)

### Description
This function retrieves the symmetry operations (rotations and translations) corresponding to a given Hall number from the spglib database.

### Parameters
- **hall_number** (int) - The Hall number.

### Returns
- **symmetry_data** (dict) - A dictionary containing 'rotations' and 'translations'.
```

--------------------------------

### Import spglib Module (Conditional)

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

If the spglib version is uncertain, use a try-except block to import it, preferring `spglib` as an alias.

```python
try:
    import spglib as spg
except ImportError:
    from pyspglib import spglib as spg

```

--------------------------------

### get_grid_point_from_address(address, mesh)

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Gets the grid point from an address.

```APIDOC
## Function: get_grid_point_from_address(address, mesh)

### Description
This function converts a grid point address to its corresponding grid point index.

### Parameters
- **address** (list of int) - The address of the grid point.
- **mesh** (list of int) - The mesh size.

### Returns
- **grid_point_index** (int) - The index of the grid point.
```

--------------------------------

### Execute Python Tests Locally

Source: https://spglib.readthedocs.io/en/stable/python-interface.html

To run the Python tests locally, navigate to the git repository root and execute the `pytest` command.

```bash
$ pytest

```

--------------------------------

### Get Pointgroup

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Finds the point group of a crystal structure.

```APIDOC
## get_pointgroup(cell, symprec=None, angle_tolerance=None)

### Description
Finds the point group of a crystal structure.

### Parameters
- **cell**: tuple
    A tuple representing the crystal cell: (lattice, positions, numbers).
- **symprec**: float, optional
    Symmetry precision. Defaults to None.
- **angle_tolerance**: float, optional
    Angle tolerance. Defaults to None.

### Returns
str or None
The point group symbol as a string, or None if it fails.
```

--------------------------------

### Clone spglib repository

Source: https://spglib.readthedocs.io/en/stable/_sources/install.md

Clone the spglib source code repository from GitHub.

```bash
git clone https://github.com/spglib/spglib.git
```

--------------------------------

### Import spglib module (version agnostic)

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Attempt to import spglib directly, falling back to the pyspglib alias if the direct import fails. This is useful when the spglib version is uncertain.

```python
try:
    import spglib as spg
except ImportError:
    from pyspglib import spglib as spg
```

--------------------------------

### Get Layergroup

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Finds layer groups for a crystal structure.

```APIDOC
## get_layergroup(cell, symprec=None, angle_tolerance=None)

### Description
Finds layer groups for a crystal structure.

### Parameters
- **cell**: tuple
    A tuple representing the crystal cell: (lattice, positions, numbers).
- **symprec**: float, optional
    Symmetry precision. Defaults to None.
- **angle_tolerance**: float, optional
    Angle tolerance. Defaults to None.

### Returns
dict or None
A dictionary containing layer group information, or None if it fails.
```

--------------------------------

### Get Spacegroup

Source: https://spglib.readthedocs.io/en/stable/api/autodoc/spglib.html

Determines the spacegroup symbol of a crystal structure.

```APIDOC
## get_spacegroup(cell, symprec=None, angle_tolerance=None)

### Description
Determines the spacegroup symbol of a crystal structure.

### Parameters
- **cell**: tuple
    A tuple representing the crystal cell: (lattice, positions, numbers).
- **symprec**: float, optional
    Symmetry precision. Defaults to None.
- **angle_tolerance**: float, optional
    Angle tolerance. Defaults to None.

### Returns
str or None
The spacegroup symbol as a string, or None if it fails.
```

--------------------------------

### Opt-in to new exception handling in Python

Source: https://spglib.readthedocs.io/en/stable/exceptions/python.html

This snippet shows how to enable the new exception handling interface by setting `spglib.error.OLD_ERROR_HANDLING` to `False`. This is recommended for preparing code for future versions.

```python
try:
    spglib.error.OLD_ERROR_HANDLING = False
except AttributeError:
    pass

```

--------------------------------

### get_magnetic_symmetry_dataset

Source: https://spglib.readthedocs.io/en/stable/_sources/python-interface.md

Gets magnetic symmetry dataset of a crystal structure.

```APIDOC
## get_magnetic_symmetry_dataset

### Description
Gets magnetic symmetry dataset of a crystal structure.

### Method
`spglib.msg.get_magnetic_symmetry_dataset(cell, symprec=1e-05, angle_tolerance=-1.0)`

### Parameters
- **cell** (tuple): A tuple representing the crystal cell: (lattice, positions, numbers, magnetic_moments).
- **symprec** (float, optional): Symmetry precision. Defaults to 1e-05.
- **angle_tolerance** (float, optional): Angle tolerance. Defaults to -1.0 (automatic).

### Returns
- (dict): A dictionary containing the magnetic symmetry dataset, or None if failed.
```
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