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updating the Packages_details, KIM package

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Yaser Afshar
2020-03-16 08:19:13 -05:00
parent cfc9fe7e39
commit 2d3423a493
1 changed files with 18 additions and 10 deletions
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doc/src/Packages_details.rst
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@ -365,12 +365,17 @@ KIM package
This package contains a set of commands that serve as a wrapper on the
`Open Knowledgebase of Interatomic Models (OpenKIM) <https://openkim.org>`_
repository of interatomic models (IMs)
enabling compatible ones to be used in LAMMPS simulations.
This includes :doc:`kim_init and kim_interactions <kim_commands>`
commands to select, initialize and instantiate the IM, and a
:doc:`kim_query <kim_commands>` command to perform web queries
for material property predictions of OpenKIM IMs.
repository of interatomic models (IMs) enabling compatible ones to be used in
LAMMPS simulations.
This includes :doc:`kim_init <kim_commands>`, and
:doc:`kim_interactions <kim_commands>` commands to select, initialize and
instantiate the IM, a :doc:`kim_query <kim_commands>` command to perform web
queries for material property predictions of OpenKIM IMs, a
:doc:`kim_param <kim_commands>` command to access KIM Model Parameters from
LAMMPS, and a :doc:`kim_property <kim_commands>` command to write material
properties computed in LAMMPS to standard KIM property instance format.
Support for KIM IMs that conform to the
`KIM Application Programming Interface (API) <https://openkim.org/kim-api/>`_
is provided by the :doc:`pair_style kim <pair_kim>` command.
@ -392,13 +397,16 @@ The KIM project is led by Ellad Tadmor and Ryan Elliott (U Minnesota)
and is funded by the `National Science Foundation <https://www.nsf.gov/>`_.
**Authors:** Ryan Elliott (U Minnesota) is the main developer for the KIM
API and the *pair_style kim* command. Axel Kohlmeyer (Temple U) and
Ellad Tadmor (U Minnesota) contributed to the :doc:`kim_commands <kim_commands>`
interface in close collaboration with Ryan Elliott.
API and the *pair_style kim* command. Yaser Afshar (U Minnesota),
Axel Kohlmeyer (Temple U), Ellad Tadmor (U Minnesota), and
Daniel Karls (U Minnesota) contributed to the
:doc:`kim_commands <kim_commands>` interface in close collaboration with
Ryan Elliott.
**Install:**
This package has :ref:`specific installation instructions <kim>` on the :doc:`Build extras <Build_extras>` doc page.
This package has :ref:`specific installation instructions <kim>` on the
:doc:`Build extras <Build_extras>` doc page.
**Supporting info:**