ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

updating the Build_extras, KIM package

Browse Source
This commit is contained in:
Yaser Afshar
2020-03-16 08:17:27 -05:00
parent dc373dbdeb
commit f203258ad5
1 changed files with 18 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

22
doc/src/Build_extras.rst
View File

@ -189,13 +189,27 @@ KIM package
---------------------
To build with this package, the KIM library with API v2 must be downloaded
and built on your system. It must include the KIM models that you want to
use with LAMMPS. If you want to use the :doc:`kim_query <kim_commands>`
and built on your system. It must include the KIM models that you want to
use with LAMMPS.
If you would like to use the :doc:`kim_query <kim_commands>`
command, you also need to have libcurl installed with the matching
development headers and the curl-config tool.
See the `Obtaining KIM Models <http://openkim.org/doc/usage/obtaining-models>`_
web page to
If you would like to use the :doc:`kim_property <kim_commands>`
command, you need to build LAMMPS with the Python 3.6 or later package
installed. See the :doc:`Python <python>` doc page for more info on building
LAMMPS with the version of Python on your system.
After successfully building LAMMPS with Python, you need to
install the kim-property Python package, which can be easily done using
*pip* as ``pip install kim-property``, or from the *conda-forge* channel as
``conda install kim-property`` if LAMMPS is built in Conda. More detailed
information is available at:
`kim-property installation <https://github.com/openkim/kim-property#installing-kim-property>`_.
In addition to installing the KIM API, it is also necessary to install the
library of KIM models (interatomic potentials).
See `Obtaining KIM Models <http://openkim.org/doc/usage/obtaining-models>`_ to
learn how to install a pre-build binary of the OpenKIM Repository of Models.
See the list of all KIM models here: https://openkim.org/browse/models