Some minor changes to kim_commands.rst

This commit is contained in:
Ryan S. Elliott
2021-02-19 20:22:51 -06:00
committed by Yaser Afshar
parent 9273a45d34
commit efa5eff85c

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@ -8,21 +8,23 @@ Syntax
.. code-block:: LAMMPS
kim sub-command
kim sub-command args
* sub-command = :ref:`init <init>` or :ref:`interactions <interactions>` or
:ref:`query <query>` or :ref:`param <param>` or :ref:`property <property>`
* args = arguments used by a particular sub-command
Examples
""""""""
.. code-block:: LAMMPS
kim init ...
kim interactions ...
kim query ...
kim param ...
kim property ...
kim init args
kim interactions args
kim query args
kim param args
kim property args
.. _kim_description:
@ -31,7 +33,7 @@ Description
The *kim command* includes a set of sub-commands that allow LAMMPS users
to use interatomic models (IM) (potentials and force fields) and their predictions
for various physical properties archived in the
for various physical properties archived in the
`Open Knowledgebase of Interatomic Models (OpenKIM) <https://openkim.org>`_ repository.
Using OpenKIM provides LAMMPS users with immediate access to a large number of
@ -141,11 +143,11 @@ Examples
kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 metal
kim interactions Si
kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 real
kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 metal unit_conversion_mode
kim interactions C H O
kim init Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 real
kim interactions fixed_types
@ -679,7 +681,7 @@ Syntax
kim param get param_name index_range variable formatarg
kim param set param_name index_range values
* param_name = name of a KIM portable model parameter (which is published by the
PM and available for access). The specific string used to identify a parameter
is defined by the PM. For example, for the
@ -1374,4 +1376,3 @@ doi: `https://doi.org/10.1007/s11837-011-0102-6 <https://doi.org/10.1007/s11837-
**(Elliott)** Elliott, Tadmor and Bernstein, `https://openkim.org/kim-api <https://openkim.org/kim-api>`_ (2011)
doi: `https://doi.org/10.25950/FF8F563A <https://doi.org/10.25950/FF8F563A>`_