From efa5eff85cee270a2d000dfb7194a24c87befb9c Mon Sep 17 00:00:00 2001 From: "Ryan S. Elliott" Date: Fri, 19 Feb 2021 20:22:51 -0600 Subject: [PATCH] Some minor changes to kim_commands.rst --- doc/src/kim_commands.rst | 23 ++++++++++++----------- 1 file changed, 12 insertions(+), 11 deletions(-) diff --git a/doc/src/kim_commands.rst b/doc/src/kim_commands.rst index 116585c8ac..d67bd454a9 100644 --- a/doc/src/kim_commands.rst +++ b/doc/src/kim_commands.rst @@ -8,21 +8,23 @@ Syntax .. code-block:: LAMMPS - kim sub-command + kim sub-command args * sub-command = :ref:`init ` or :ref:`interactions ` or :ref:`query ` or :ref:`param ` or :ref:`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) `_ 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 `_ (2011) doi: `https://doi.org/10.25950/FF8F563A `_ -