diff --git a/doc/src/kim_commands.txt b/doc/src/kim_commands.txt index 5a50a76879..99ed068c44 100644 --- a/doc/src/kim_commands.txt +++ b/doc/src/kim_commands.txt @@ -67,7 +67,7 @@ The {kim_query} web query tool provides the ability to use the predictions of IM Support is provided for unit conversion between the "unit style"_units.html used in the LAMMPS input script and the units required by the OpenKIM IM. This makes it possible to use a single input script with IMs using different units without change and minimizes the likelihood of errors due to incompatible units. :ul :link(IM_types) -Types of KIM IMs :h4 +Types of IMs in OpenKIM :h4 There are two types of IMs archived in OpenKIM: @@ -108,6 +108,10 @@ listed above the Model Page is located at: "https://openkim.org/id/SW_StillingerWeber_1985_Si__MO_405512056662_005"_https://openkim.org/id/SW_StillingerWeber_1985_Si__MO_405512056662_005 :pre +See the "current list of KIM Models and SMs archived in OpenKIM"_https://openkim.org/browse/models/by-species. +This list is sorted by species and can be filtered to display only +IMs for certain species combinations. + NOTE: It is also possible to locally install IMs not archived in OpenKIM, in which case their names do not have to conform to the KIM ID format. @@ -118,6 +122,9 @@ IM and perform necessary initialization ({kim_init}), and the second to set up the IM for use by executing any necessary LAMMPS commands ({kim_interactions}). Both are required. +See the {examples/kim} directory for example input scripts that use KIM Models +and KIM SMs. + OpenKIM IM Initialization ({kim_init}) :h5 The {kim_init} mode command must be issued [before] @@ -375,11 +382,16 @@ OpenKIM to function. [Restrictions:] The set of {kim_commands} is part of the KIM package. It is only enabled if -LAMMPS was built with that package. Furthermore, its correct -functioning depends on compiling LAMMPS with all required packages -installed that are required by the commands embedded in any KIM -SM used. -See the "Build package"_Build_package.html doc page for more info. +LAMMPS is built with that package. A requirement for the KIM package, +is the KIM API library that must be downloaded from the +"OpenKIM website"_https://openkim.org/kim-api/ and installed before +LAMMPS is compiled. When installing LAMMPS from binary, the kim-api package +is a dependency that is automatically downloaded and installed. See the KIM +section of the "Packages details"_Packages_details.html for details. + +Furthermore, when using {kim_commands} to run KIM SMs, any packages required +by the native potential being used or other commands or fixes that it invokes +must be installed. [Related commands:]