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lammps/tools/i-pi/README.md
2024-06-25 13:33:29 -04:00

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This folder used to contain a bundled version of [i-PI](https://ipi-code.org)
but the bundled version was removed in 06/2024.
i-PI is available via PyPI using the pip package manager at:
https://pypi.org/project/ipi/
Here are the commands to set up a virtual environment and
install i-PI into it with all its dependencies.
``` sh
python -m venv ipienv
source ipienv/bin/activate
pip install --upgrade pip
pip install ipi
```
For further information and other methods of installing i-PI,
please consult the [i-PI home page](https://ipi-code.org).