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lan496 committed Jul 26, 2023
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29 changes: 25 additions & 4 deletions README.md
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Expand Up @@ -48,13 +48,34 @@ print(f"Translation ({idx})\n{translations[idx]}")
print(f"Spin rotation ({idx})\n{spin_rotations[idx]}") # -> diag([1, 1, -1])
```

See [API documents](docs/api/api.md) for more details.

## Installation

```shell
git clone [email protected]:spglib/spinspg.git
cd spinspg
conda create -y -n spinspg python=3.10 pip
conda activate spinspg
pip install -e ".[dev,docs]"
pre-commit install
pip install .
```

## How to cite spinspg

If you use spinspg in your research, please cite the following paper:

```
@misc{spinspg,
author = {Kohei Shinohara and Atsushi Togo and Hikaru Watanabe and Takuya Nomoto and Isao Tanaka and Ryotaro Arita},
title = {Algorithm for spin symmetry operation search},
year = {2023},
eprint = {arXiv:2307.12228},
howpublished = {\url{https://arxiv.org/abs/2307.12228}},
}
```

## Change log

See the [change log](docs/changelog.md) for recent changes.

## License

Spinspg is distributed under a BSD 3-clause license.
4 changes: 0 additions & 4 deletions docs/api/api.md
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```{eval-rst}
.. autofunction:: spinspg.pointgroup.get_pointgroup_representative
```

```{eval-rst}
.. autofunction:: spinspg.pointgroup.get_nontrivial_spin_point_group_type
```
2 changes: 1 addition & 1 deletion docs/conf.py
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napoleon_use_ivar = True

intersphinx_mapping = {
"spglib": ("https://spglib.github.io/spglib/", None),
"spglib": ("https://spglib.readthedocs.io/en/latest/", None),
}

# MyST
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34 changes: 34 additions & 0 deletions docs/development.md
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# Development memo

## Installation

```shell
git clone [email protected]:spglib/spinspg.git
cd spinspg
conda create -y -n spinspg python=3.10 pip
conda activate spinspg
pip install -e ".[dev,docs]"
pre-commit install
```

## Compile documents

```shell
sphinx-autobuild docs docs_build
# open localhost:8000 in your browser
```

## Release

```shell
# Confirm the version number via `setuptools-scm`
python -m setuptools_scm

# Update changelog here
vim docs/changelog.md

# Push with tag
git tag <next-version>
git push origin main
git push origin <next-version>
```
1 change: 1 addition & 0 deletions docs/index.md
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Expand Up @@ -6,6 +6,7 @@ hidden:
Introduction <self>
API Reference <api/api.md>
Change Log <changelog.md>
Development <development.md>
Index <genindex>
```

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