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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11172 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-07 21:43:31 +00:00
parent 6c45604c2a
commit 31a4282f40
23 changed files with 135 additions and 51 deletions
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8
examples/reax/in.reax.rdx
View File

@ -41,8 +41,12 @@ timestep 1.0
#dump 1 all custom 10 dump.reax.rdx id type q xs ys zs
#dump 1 all image 25 image.*.jpg type type &
#dump 2 all image 25 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 3
#dump_modify 2 pad 3
#dump 3 all movie 25 movie.mpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3
run 100

8
examples/reax/in.reax.tatb
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@ -40,9 +40,13 @@ timestep 0.0625
#dump 1 all custom 100 dump.reax.tatb id type q x y z
#dump 1 all image 5 image.*.jpg type type &
#dump 2 all image 5 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 3
#dump_modify 2 pad 3
#dump 3 all movie 5 movie.mpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3
fix 2 all reax/bonds 25 bonds.reax.tatb

8
examples/reax/in.reaxc.rdx
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@ -41,8 +41,12 @@ timestep 1.0
#dump 1 all atom 10 dump.reaxc.rdx
#dump 1 all image 25 image.*.jpg type type &
#dump 2 all image 25 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 3
#dump_modify 2 pad 3
#dump 3 all movie 25 movie.mpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3
run 100

8
examples/reax/in.reaxc.tatb
View File

@ -42,9 +42,13 @@ timestep 0.0625
#dump 1 all custom 100 dump.reaxc.tatb id type q x y z
#dump 1 all image 5 image.*.jpg type type &
#dump 2 all image 5 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 3
#dump_modify 2 pad 3
#dump 3 all movie 5 movie.mpg type type &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3
fix 3 all reax/c/species 1 5 5 species.tatb