From 0264e044e2d7db5635fae76f74c09bd71b6b392d Mon Sep 17 00:00:00 2001 From: "Ryan S. Elliott" Date: Mon, 2 Jul 2018 21:51:05 -0500 Subject: [PATCH] Update example/kim input files --- examples/kim/in.kim.lj | 8 ++++---- examples/kim/in.kim.lj.lmp | 8 ++++---- 2 files changed, 8 insertions(+), 8 deletions(-) diff --git a/examples/kim/in.kim.lj b/examples/kim/in.kim.lj index 4ce7af97c4..851243bed8 100644 --- a/examples/kim/in.kim.lj +++ b/examples/kim/in.kim.lj @@ -22,11 +22,11 @@ region box block 0 ${xx} 0 ${yy} 0 ${zz} create_box 1 box create_atoms 1 box -#pair_style lj/cut 7.5548200 -#pair_coeff 1 1 0.0123529 1.8887100 -#pair_modify shift yes +#pair_style lj/cut 8.1500 +#pair_coeff 1 1 0.0104 3.4000 +#pair_modify shift no -pair_style kim KIMvirial LennardJones612_Ar +pair_style kim LAMMPSvirial LennardJones_Ar pair_coeff * * Ar mass 1 39.95 diff --git a/examples/kim/in.kim.lj.lmp b/examples/kim/in.kim.lj.lmp index ddb7624945..aa6dbcad6f 100644 --- a/examples/kim/in.kim.lj.lmp +++ b/examples/kim/in.kim.lj.lmp @@ -16,11 +16,11 @@ region box block 0 ${xx} 0 ${yy} 0 ${zz} create_box 1 box create_atoms 1 box -pair_style lj/cut 7.5548200 -pair_coeff 1 1 0.0123529 1.8887100 -pair_modify shift yes +pair_style lj/cut 8.1500 +pair_coeff 1 1 0.0104 3.4000 +pair_modify shift no -#pair_style kim KIMvirial LennardJones612_Ar +#pair_style kim KIMvirial LennardJones_Ar #pair_coeff * * Ar mass 1 39.95