Commit 0264e044 authored by Ryan S. Elliott's avatar Ryan S. Elliott
Browse files

Update example/kim input files

parent 0fbc6beb

examples/kim/in.kim.lj

+4 −4
Original line number Diff line number Diff line
@@ -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

examples/kim/in.kim.lj.lmp

+4 −4
Original line number Diff line number Diff line
@@ -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

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