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Moved some content from pair_kim docs to kim_commands

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This commit is contained in:
Ellad Tadmor
2019-06-23 17:36:36 -05:00
parent 881f9ff043
commit 94e1f87cb8
1 changed files with 18 additions and 6 deletions
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doc/src/kim_commands.txt
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@ -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:]