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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2962 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-07-02 19:38:41 +00:00
parent df77bc9dc2
commit 676959e910
2 changed files with 12 additions and 0 deletions
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6
examples/ellipse/in.ellipse.gayberne
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@ -18,6 +18,10 @@ shape 1 1 1 1
shape 2 3 1 1 shape 2 3 1 1
compute rot all temp/asphere compute rot all temp/asphere
group spheroid type 1
variable dof equal count(spheroid)+2
compute_modify rot extra ${dof}
velocity all create 2.4 87287 loop geom velocity all create 2.4 87287 loop geom
pair_style gayberne 1.0 3.0 1.0 4.0 pair_style gayberne 1.0 3.0 1.0 4.0
@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.gayberne &
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
compute_modify 1_temp extra ${dof}
# equilibrate to shrink box around dilute system # equilibrate to shrink box around dilute system
run 2000 run 2000

6
examples/ellipse/in.ellipse.resquared
View File

@ -18,6 +18,10 @@ shape 1 1 1 1
shape 2 3 1 1 shape 2 3 1 1
compute rot all temp/asphere compute rot all temp/asphere
group spheroid type 1
variable dof equal count(spheroid)+2
compute_modify rot extra ${dof}
velocity all create 2.4 87287 loop geom velocity all create 2.4 87287 loop geom
#pair_style gayberne 1.0 3.0 1.0 4.0 #pair_style gayberne 1.0 3.0 1.0 4.0
@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.resquared &
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d fix 2 all enforce2d
compute_modify 1_temp extra ${dof}
# equilibrate to shrink box around dilute system # equilibrate to shrink box around dilute system
run 2000 run 2000