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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7795 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-15 15:25:35 +00:00
parent 14dd64b17a
commit e963497c6c
1 changed files with 2 additions and 2 deletions
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examples/kim/in.kim.lj
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@ -22,14 +22,14 @@ create_atoms 1 box
#pair_coeff 1 1 0.0031 2.7400 #pair_coeff 1 1 0.0031 2.7400
#pair_modify shift yes #pair_modify shift yes
pair_style kim model_Ne_P_LJ pair_style kim model_Ne_P_fastLJ
pair_coeff * * Ne pair_coeff * * Ne
mass 1 20.18 mass 1 20.18
velocity all create 200.0 232345 loop geom velocity all create 200.0 232345 loop geom
neighbor 0.3 bin neighbor 0.3 bin
neigh_modify delay 5 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 all nve fix 1 all nve
#fix 1 all npt temp 1.0 1.0 1.0 iso 1.0 1.0 3.0 #fix 1 all npt temp 1.0 1.0 1.0 iso 1.0 1.0 3.0