Commit 29ae88e3 authored by Ryan S. Elliott's avatar Ryan S. Elliott
Browse files

Update docs for KIM

parent dd61ded3
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+20 −24
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@@ -176,16 +176,12 @@ package?" page.

[CMake build]:

-D DOWNLOAD_KIM=value    # download OpenKIM API v1 for build, value = no (default) or yes
-D KIM_LIBRARY=path      # KIM library file (only needed if a custom location) 
-D KIM_INCLUDE_DIR=path  # KIM include directory (only needed if a custom location) :pre
-D DOWNLOAD_KIM=value           # download OpenKIM API v1 for build, value = no (default) or yes :pre

If DOWNLOAD_KIM is set, the KIM library will be downloaded and built
inside the CMake build directory.  If the KIM library is already on
your system (in a location CMake cannot find it), KIM_LIBRARY is the
filename (plus path) of the KIM library file, not the directory the
library file is in.  KIM_INCLUDE_DIR is the directory the KIM include
file is in.
your system (in a location CMake cannot find it), set the PKG_CONFIG_PATH
environment variable so that libkim-api-v2 can be found.

[Traditional make]:

@@ -199,8 +195,8 @@ make lib-kim args="-b " # (re-)install KIM API lib with only example models
make lib-kim args="-b -a Glue_Ercolessi_Adams_Al__MO_324507536345_001"  # ditto plus one model
make lib-kim args="-b -a everything"     # install KIM API lib with all models
make lib-kim args="-n -a EAM_Dynamo_Ackland_W__MO_141627196590_002"       # add one model or model driver
make lib-kim args="-p /usr/local/kim-api" # use an existing KIM API installation at the provided location
make lib-kim args="-p /usr/local/kim-api -a EAM_Dynamo_Ackland_W__MO_141627196590_002" # ditto but add one model or driver :pre
make lib-kim args="-p /usr/local" # use an existing KIM API installation at the provided location
make lib-kim args="-p /usr/local -a EAM_Dynamo_Ackland_W__MO_141627196590_002" # ditto but add one model or driver :pre

:line

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@@ -6994,12 +6994,6 @@ The atom style defined does not have this attribute. :dd

The atom style defined does not have these attributes. :dd

{KIM neighbor iterator exceeded range} :dt

This should not happen.  It likely indicates a bug
in the KIM implementation of the interatomic potential
where it is requesting neighbors incorrectly. :dd

{KOKKOS package does not yet support comm_style tiled} :dt

Self-explanatory. :dd
@@ -10193,8 +10187,6 @@ Self-explanatory. :dd

{Unrecognized virial argument in pair_style command} :dt

Only two options are supported: LAMMPSvirial and KIMvirial :dd

{Unsupported mixing rule in kspace_style ewald/disp} :dt

Only geometric mixing is supported. :dd
+30 −33
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@@ -345,12 +345,11 @@ system.

Information about the KIM project can be found at its website:
https://openkim.org.  The KIM project is led by Ellad Tadmor and Ryan
Elliott (U Minnesota) and James Sethna (Cornell U).
Elliott (U Minnesota).

[Authors:] Ryan Elliott (U Minnesota) is the main developer for the KIM
API which the "pair_style kim"_pair_kim.html command uses.  He
developed the pair style in collaboration with Valeriu Smirichinski (U
Minnesota).
developed the pair style.

[Install:]

@@ -2075,5 +2074,3 @@ src/USER-VTK: filenames -> commands
src/USER-VTK/README
lib/vtk/README
"dump vtk"_dump_vtk.html :ul

+1 −1
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@@ -115,7 +115,7 @@ LAMMPS was built with that package. See the "Build
package"_Build_package.html doc page for more info.

This current version of pair_style kim is compatible with the
kim-api package version 2.0.0-beta.1 and higher.
kim-api package version 2.0.0-beta.2 and higher.

[Related commands:]