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lammps/tools/i-pi
2024-05-27 18:49:40 -04:00
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This folder used to contain a bundled version of i-PI. However, the bundled version was not updated and thus had become outdated.

i-PI is now available via PyPi using the pip package manager at: https://pypi.org/project/i-PI/

Here are the commands to set up a virtual environment and install i-PI into it with all its dependencies.

python -m venv ipienv
source ipienv/bin/activate
pip install --upgrade pip
pip install i-PI

For further information, please consult the i-PI home page.