git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7608 f3b2605a-c512-4ea7-a41b-209d697bcdaa

examples/README

@@ -33,6 +33,7 @@ friction: frictional contact of spherical asperities between 2d surfaces
 gpu:      use of the GPU package for GPU acceleration
 hugoniostat: Hugoniostat shock dynamics
 indent:	  spherical indenter into a 2d solid
+kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)
 meam:	  MEAM test for SiC and shear (same as shear examples)
 melt:	  rapid melt of 3d LJ system
 micelle:  self-assembly of small lipid-like molecules into 2d bilayers

examples/kim/in.kim.lj

+# 3d Lennard-Jones melt
+
+variable	x index 1
+variable	y index 1
+variable	z index 1
+
+variable	xx equal 20*$x
+variable	yy equal 20*$y
+variable	zz equal 20*$z
+
+units		metal
+atom_style	atomic
+
+newton off
+
+lattice		fcc 4.4300
+region		box block 0 ${xx} 0 ${yy} 0 ${zz}
+
+create_box	1 box
+create_atoms	1 box
+
+#pair_style	lj/cut 8.1500
+#pair_coeff	1 1 0.0031 2.7400
+#pair_modify     shift yes
+
+pair_style     kim model_Ne_P_LJ_efficiency
+pair_coeff      * * Ne
+
+mass		1 20.18
+velocity	all create 200.0 232345 loop geom
+
+neighbor	0.3 bin
+neigh_modify	delay 5 every 1 check yes
+
+fix		1 all nve
+
+run 		100

examples/kim/in.kim.lj.lmp

+# 3d Lennard-Jones melt
+
+variable	x index 1
+variable	y index 1
+variable	z index 1
+
+variable	xx equal 20*$x
+variable	yy equal 20*$y
+variable	zz equal 20*$z
+
+units		metal
+atom_style	atomic
+
+#newton off
+
+lattice		fcc 4.4300
+region		box block 0 ${xx} 0 ${yy} 0 ${zz}
+
+create_box	1 box
+create_atoms	1 box
+
+pair_style	lj/cut 8.1500
+pair_coeff	1 1 0.0031 2.7400
+pair_modify     shift yes
+
+#pair_style     kim model_Ne_P_LJ_efficiency
+#pair_coeff      * * Ne
+
+mass		1 20.18
+velocity	all create 200.0 232345 loop geom
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+run 		100