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Update pypolymlp doc
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@ -23,12 +23,38 @@ For further details on combining phono3py calculations with pypolymlp, refer to
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An example of its usage can be found in the `example/NaCl-pypolymlp` directory
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in the distribution from GitHub or PyPI.
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## Citation of pypolymlp
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"Tutorial: Systematic development of polynomial machine learning potentials for elemental and alloy systems", A. Seko, J. Appl. Phys. **133**, 011101 (2023).
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```
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@article{pypolymlp,
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author = {Seko, Atsuto},
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title = "{"Tutorial: Systematic development of polynomial machine learning potentials for elemental and alloy systems"}",
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journal = {J. Appl. Phys.},
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volume = {133},
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number = {1},
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pages = {011101},
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year = {2023},
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month = {01},
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}
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```
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## Requirements
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- [pypolymlp](https://github.com/sekocha/pypolymlp)
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For linux (x86-64), a compiled package of pypolymlp can be installed via
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conda-forge (recommended). Otherwise, pypolymlp can be installed from
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source-code.
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- [symfc](https://github.com/symfc/symfc)
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## Workflow
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Installed via pip, conda-forge, or source code.
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## How to calculate
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### Workflow
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1. Generate random displacements in supercells. Use {ref}`--rd
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<random_displacements_option>` option.
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