small doc tweaks and update for the simplified installation

This commit is contained in:
Axel Kohlmeyer
2025-06-12 22:49:38 -04:00
parent dcf604875c
commit 4865235998
3 changed files with 5 additions and 18 deletions

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@ -1295,21 +1295,9 @@ at: `https://github.com/ICAMS/lammps-user-pace/ <https://github.com/ICAMS/lammps
.. tab:: Traditional make .. tab:: Traditional make
You can download and build the ML-PACE library You need to install the ML-PACE package *first* and follow
in one step from the ``lammps/src`` dir, using these commands, the instructions :ref:`here <ml-pace>` before installing
which invoke the ``lib/pace/Install.py`` script. the APIP package.
.. code-block:: bash
# print help message
make lib-pace
# download and build the default version in lib/pace
make lib-pace args="-b"
You should not need to edit the ``lib/pace/Makefile.lammps`` file.
The APIP package itself is activated with ``make yes-APIP``.
---------- ----------

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@ -202,8 +202,7 @@ large-scale atomistic simulations", J. Chem. Phys. 162, 114119 (2025)
`link <immel2025_doi_>`_ `link <immel2025_doi_>`_
Adaptive-precision means, that a fast interatomic potential, such as EAM, Adaptive-precision means, that a fast interatomic potential, such as EAM,
is coupled to a is coupled to a precise interatomic potential, such as ACE.
precise interatomic potential, such as ACE.
This package provides the required pair_styles and fixes to run an efficient, This package provides the required pair_styles and fixes to run an efficient,
energy-conserving adaptive-precision simulation. energy-conserving adaptive-precision simulation.

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@ -41,7 +41,7 @@ whether an extra library is needed to build and use the package:
* - :ref:`APIP <PKG-APIP>` * - :ref:`APIP <PKG-APIP>`
- adaptive-precision interatomic potentials - adaptive-precision interatomic potentials
- :doc:`Howto APIP <Howto_apip>` - :doc:`Howto APIP <Howto_apip>`
- ``PACKAGES/APIP`` - ``PACKAGES/apip``
- ext - ext
* - :ref:`ASPHERE <PKG-ASPHERE>` * - :ref:`ASPHERE <PKG-ASPHERE>`
- aspherical particle models - aspherical particle models