lammps

History

sjplimp c74d2c7e08 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7875 f3b2605a-c512-4ea7-a41b-209d697bcdaa		2012-03-01 17:01:45 +00:00
..
Makefile.lammps	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7875 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2012-03-01 17:01:45 +00:00
README	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7875 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2012-03-01 17:01:45 +00:00

README

This dir contains the hooks to build and link LAMMPS with the OpenKIM
library so that a LAMMPS input script can use a KIM potential, via the
pair_style kim command.

You should first download KIM from www.openkim.org.  Then build its
library API in KIM_API, with the models (potentials) you want to use.
You should then have the files:

openkim/KIM_API/libkim.a
openkim/KIM_API/libkim.so

When you build LAMMPS with its KIM package installed, it will use the
3 settings in Makefile.lammps in this directory.  Note that they
depend on the KIM_DIR environment variable being set, which is
typically done when you build the KIM_API library.

kim_SYSINC = a path to the KIM_API directory that contains *.h files
kim_SYSLIB = the KIM library
kim_SYSPATH = a path to the KIM library