small doc tweaks and update for the simplified installation
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@ -1295,21 +1295,9 @@ at: `https://github.com/ICAMS/lammps-user-pace/ <https://github.com/ICAMS/lammps
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.. tab:: Traditional make
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.. tab:: Traditional make
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You can download and build the ML-PACE library
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You need to install the ML-PACE package *first* and follow
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in one step from the ``lammps/src`` dir, using these commands,
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the instructions :ref:`here <ml-pace>` before installing
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which invoke the ``lib/pace/Install.py`` script.
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the APIP package.
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.. code-block:: bash
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# print help message
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make lib-pace
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# download and build the default version in lib/pace
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make lib-pace args="-b"
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You should not need to edit the ``lib/pace/Makefile.lammps`` file.
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The APIP package itself is activated with ``make yes-APIP``.
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----------
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----------
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@ -202,8 +202,7 @@ large-scale atomistic simulations", J. Chem. Phys. 162, 114119 (2025)
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`link <immel2025_doi_>`_
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`link <immel2025_doi_>`_
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Adaptive-precision means, that a fast interatomic potential, such as EAM,
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Adaptive-precision means, that a fast interatomic potential, such as EAM,
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is coupled to a
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is coupled to a precise interatomic potential, such as ACE.
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precise interatomic potential, such as ACE.
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This package provides the required pair_styles and fixes to run an efficient,
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This package provides the required pair_styles and fixes to run an efficient,
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energy-conserving adaptive-precision simulation.
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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:
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* - :ref:`APIP <PKG-APIP>`
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* - :ref:`APIP <PKG-APIP>`
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- adaptive-precision interatomic potentials
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- adaptive-precision interatomic potentials
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- :doc:`Howto APIP <Howto_apip>`
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- :doc:`Howto APIP <Howto_apip>`
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- ``PACKAGES/APIP``
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- ``PACKAGES/apip``
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- ext
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- ext
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* - :ref:`ASPHERE <PKG-ASPHERE>`
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* - :ref:`ASPHERE <PKG-ASPHERE>`
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- aspherical particle models
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- aspherical particle models
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