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Some various doc updates for kim-api support

This commit is contained in:
Ryan S. Elliott 2019-02-14 13:38:28 -06:00
parent 333154633b
commit e95cf4e917
5 changed files with 13 additions and 18 deletions
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5
cmake/Modules/FindKIM-API-V2.cmake
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@ -28,11 +28,6 @@
# Ryan S. Elliott
#
#
# Release: This file is part of the kim-api.git repository.
#
# - Find KIM-API-V2
#
# sets standard pkg_check_modules variables plus:

6
doc/src/pair_kim.txt
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@ -48,8 +48,8 @@ building LAMMPS.
See the examples/kim dir for an input script that uses a KIM model (potential)
for Lennard-Jones. Note, for this example input script, the example models
shipped with with kim-api package must be installed. See the "Making
LAMMPS"_Section_start.html#start_3 section and the ./lib/kim/README for details
shipped with with kim-api package must be installed. See the "Build
package"_Build_package.html section and the ./lib/kim/README for details
on how to build LAMMSPS with the kim-api and how to install the example models.
:line
@ -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.2 and higher.
kim-api package version 2.0.0 and higher.
[Related commands:]

16
lib/kim/README
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@ -20,17 +20,17 @@ Instructions:
1. Configure lammps for use with the kim-api library installed in this directory
# replace X.Y.Z as appropriate here and below
$ printf "${PWD}/installed-kim-api-vX.Y.Z" > ./kim-prefix.txt
$ printf "${PWD}/installed-kim-api-vX-X.Y.Z" > ./kim-prefix.txt
2. Download and unpack the kim-api
$ wget http://s3.openkim.org/kim-api/kim-api-vX.Y.Z.txz
$ tar zxvf kim-api-vX.Y.Z.txz
$ wget http://s3.openkim.org/kim-api/kim-api-vX-X.Y.Z.txz
$ tar zxvf kim-api-vX-X.Y.Z.txz
# configure the kim-api
$ cd kim-api-vX.Y.Z
$ cd kim-api-vX-X.Y.Z
$ mkdir build && cd build
$ cmake .. -DCMAKE_INSTALL_PREFIX=${PWD}/../../installed-kim-api-vX.Y.Z
$ cmake .. -DCMAKE_INSTALL_PREFIX=${PWD}/../../installed-kim-api-vX-X.Y.Z
3. Build and install the kim-api and model
@ -40,13 +40,13 @@ $ make install
4. Remove source and build files
$ cd ../../
$ rm -rf kim-api-vX.Y.Z
$ rm -rf kim-api-vX.Y.Z.txz
$ rm -rf kim-api-vX-X.Y.Z
$ rm -rf kim-api-vX-X.Y.Z.txz
5. To add items do the following (replace the kim item name with your
desired value)
$ source ${PWD}/kim-api-vX.Y.Z/bin/kim-api-vX-activate
$ source ${PWD}/kim-api-vX-X.Y.Z/bin/kim-api-vX-activate
$ kim-api-vX-collections-management install system Pair_Johnson_Fe__MO_857282754307_002

2
src/KIM/pair_kim.cpp
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@ -50,7 +50,7 @@
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Designed for use with the kim-api-v2.0.0-beta.2 (and newer) package
Designed for use with the kim-api-v2-2.0.0 (and newer) package
------------------------------------------------------------------------- */
#include <cstring>

2
src/KIM/pair_kim.h
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@ -50,7 +50,7 @@
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Designed for use with the kim-api-v2.0.0-beta.2 (and newer) package
Designed for use with the kim-api-v2-2.0.0 (and newer) package
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS