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Updated docs for new pair_kim

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This commit is contained in:
Ryan S. Elliott
2018-06-29 10:53:19 -05:00
parent cb21051eb8
commit 955fe583d8
10 changed files with 53 additions and 74 deletions
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10
examples/kim/in.kim.lj
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@ -16,14 +16,14 @@ 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_style lj/cut 7.5548200
#pair_coeff 1 1 0.0123529 1.8887100
#pair_modify shift yes
pair_style kim KIMvirial ex_model_Ne_P_fastLJ
pair_coeff * * Ne
pair_style kim KIMvirial LennardJones612_Ar
pair_coeff * * Ar
mass 1 20.18
mass 1 39.95
velocity all create 200.0 232345 loop geom
neighbor 0.3 bin

10
examples/kim/in.kim.lj.lmp
View File

@ -16,14 +16,14 @@ 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_style lj/cut 7.5548200
pair_coeff 1 1 0.0123529 1.8887100
pair_modify shift yes
#pair_style kim KIMvirial ex_model_Ne_P_fastLJ
#pair_coeff * * Ne
#pair_style kim KIMvirial LennardJones612_Ar
#pair_coeff * * Ar
mass 1 20.18
mass 1 39.95
velocity all create 200.0 232345 loop geom
neighbor 0.3 bin