From 87863d5451c4137857b889f8d65b070ccb47ed78 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 11 Sep 2014 20:33:07 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12499 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/KEPLER/in.lj | 22 ++++++++++++++++++++++ 1 file changed, 22 insertions(+) create mode 100644 bench/KEPLER/in.lj diff --git a/bench/KEPLER/in.lj b/bench/KEPLER/in.lj new file mode 100644 index 0000000000..ab6988e286 --- /dev/null +++ b/bench/KEPLER/in.lj @@ -0,0 +1,22 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t