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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11168 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-07 21:32:19 +00:00
parent 8ab21ecdf5
commit fcc2b0066b
2 changed files with 14 additions and 6 deletions
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12
examples/ellipse/in.ellipse.gayberne
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@ -37,12 +37,16 @@ timestep 0.002
compute q all property/atom quatw quati quatj quatk compute q all property/atom quatw quati quatj quatk
dump 1 all custom 100 dump.ellipse.gayberne & #dump 1 all custom 100 dump.ellipse.gayberne &
id type x y z c_q[1] c_q[2] c_q[3] c_q[4] # id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
#dump 1 all image 100 image.*.jpg type type & #dump 2 all image 100 image.*.jpg type type &
# zoom 1.6 center d 0.5 0.5 0.5 # zoom 1.6 center d 0.5 0.5 0.5
#dump_modify 1 pad 4 adiam 1 1.0 adiam 2 2.0 #dump_modify 2 pad 4 adiam 1 1.0 adiam 2 2.0
#dump 3 all movie 100 movie.mpg type type &
# zoom 1.6 center d 0.5 0.5 0.5
#dump_modify 3 pad 4 adiam 1 1.0 adiam 2 2.0
fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 & fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 &
mtk no pchain 0 tchain 1 mtk no pchain 0 tchain 1

8
examples/ellipse/in.ellipse.resquared
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@ -40,9 +40,13 @@ compute q all property/atom quatw quati quatj quatk
#dump 1 all custom 100 dump.ellipse.resquared & #dump 1 all custom 100 dump.ellipse.resquared &
# id type x y z c_q[1] c_q[2] c_q[3] c_q[4] # id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
#dump 1 all image 100 image.*.jpg type type & #dump 2 all image 100 image.*.jpg type type &
# zoom 1.6 center d 0.5 0.5 0.5 # zoom 1.6 center d 0.5 0.5 0.5
#dump_modify 1 pad 4 adiam 1 1.0 adiam 2 2.0 #dump_modify 2 pad 4 adiam 1 1.0 adiam 2 2.0
#dump 3 all movie 100 movie.mpg type type &
# zoom 1.6 center d 0.5 0.5 0.5
#dump_modify 3 pad 4 adiam 1 1.0 adiam 2 2.0
fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 & fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 &
mtk no pchain 0 tchain 1 mtk no pchain 0 tchain 1