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Update example/kim input files

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This commit is contained in:
Ryan S. Elliott
2018-07-02 21:51:05 -05:00
parent 0fbc6bebf5
commit 0264e044e2
2 changed files with 8 additions and 8 deletions
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8
examples/kim/in.kim.lj
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@ -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

8
examples/kim/in.kim.lj.lmp
View File

@ -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