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improve wording

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This commit is contained in:
Axel Kohlmeyer
2024-05-28 19:55:59 -04:00
parent 05ba777c0a
commit 2d7515218c
2 changed files with 16 additions and 11 deletions
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doc/src/Tools.rst
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@ -379,8 +379,11 @@ See README file in the tools/fep directory.
i-PI tool i-PI tool
------------------- -------------------
The tools/i-pi directory used to contain a version of the i-PI package. .. versionchanged:: TBD
This version, however, was not updated and thus have become outdated.
The tools/i-pi directory used to contain a bundled version of the i-PI
software package for use with LAMMPS. This version, however, was
removed in 05/2024.
The i-PI package was created and is maintained by Michele Ceriotti, The i-PI package was created and is maintained by Michele Ceriotti,
michele.ceriotti at gmail.com, to interface to a variety of molecular michele.ceriotti at gmail.com, to interface to a variety of molecular
@ -389,8 +392,8 @@ dynamics codes.
i-PI is now available via PyPi using the pip package manager at: i-PI is now available via PyPi using the pip package manager at:
https://pypi.org/project/i-PI/ https://pypi.org/project/i-PI/
Here are the commands to set up a virtual environment and install i-PI Here are the commands to set up a virtual environment and install
into it with all its dependencies. i-PI into it with all its dependencies.
.. code-block:: sh .. code-block:: sh
@ -405,7 +408,8 @@ To install the development version from GitHub, please use:
pip install git+https://github.com/i-pi/i-pi.git pip install git+https://github.com/i-pi/i-pi.git
For further information, please consult the [i-PI home page](https://ipi-code.org). For further information, please consult the [i-PI home
page](https://ipi-code.org).
---------- ----------

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tools/i-pi/README.md
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@ -1,11 +1,11 @@
This folder used to contain a bundled version of [i-PI](https://ipi-code.org). This folder used to contain a bundled version of [i-PI](https://ipi-code.org)
However, the bundled version was not updated and thus had become outdated. but the bundled version was removed in 05/2024.
i-PI is now available via PyPi using the pip package manager at: i-PI is available via PyPi using the pip package manager at:
https://pypi.org/project/i-PI/ https://pypi.org/project/i-PI/
Here are the commands to set up a virtual environment and install i-PI Here are the commands to set up a virtual environment and
into it with all its dependencies. install i-PI into it with all its dependencies.
``` sh ``` sh
python -m venv ipienv python -m venv ipienv
@ -14,4 +14,5 @@ pip install --upgrade pip
pip install i-PI pip install i-PI
``` ```
For further information, please consult the [i-PI home page](https://ipi-code.org). For further information and other methods of installing i-PI,
please consult the [i-PI home page](https://ipi-code.org).