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lammps/tools/i-pi
Axel Kohlmeyer 2d7515218c improve wording
2024-05-28 19:55:59 -04:00
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2024-05-28 19:55:59 -04:00

This folder used to contain a bundled version of i-PI but the bundled version was removed in 05/2024.

i-PI is 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 and other methods of installing i-PI, please consult the i-PI home page.