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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@627 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-20 13:41:06 +00:00
parent c0d3ca900f
commit 1c69b9ff23
10 changed files with 60 additions and 61 deletions
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83
examples/indent/in.indent.min
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@ -1,71 +1,70 @@
# 2d indenter simulation with minimization instead of dynamics
dimension 2
boundary p s p
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.9
region box block 0 20 0 10 -0.25 0.25
create_box 2 box
create_atoms 1
lattice hex 0.9
region box block 0 20 0 10 -0.25 0.25
create_box 2 box
create_atoms 1
mass 1 1.0
mass 2 1.0
mass * 1.0
# LJ potentials
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
# define groups
region 1 block INF INF INF 1.25 INF INF
group lower region 1
group mobile subtract all lower
set lower atom 2
region 1 block INF INF INF 1.25 INF INF
group lower region 1
group mobile subtract all lower
set group lower type 2
# initial velocities
fix 2 lower setforce 0.0 0.0 0.0
fix 2 lower setforce 0.0 0.0 0.0
# indenter
fix 5 all enforce2d
fix 5 all enforce2d
# run with indent
# minimize with indenter
thermo 10
thermo 10
dump 1 all atom 1 tmp.dump
dump_modify 1 scale no
dump 1 all atom 10 dump.indent.min
dump_modify 1 scale no
minimize 1.0e-4 1000 1000
minimize 1.0e-6 1000 1000
fix 4 all indent 5000.0 sphere 10 13.0 0 6.0
fix_modify 4 energy yes thermo yes
minimize 1.0e-4 1000 1000
fix 4 all indent 5000.0 sphere 10 13.0 0 6.0
fix_modify 4 energy yes
minimize 1.0e-6 1000 1000
fix 4 all indent 1000.0 sphere 10 12.5 0 6.0
fix_modify 4 energy yes
minimize 1.0e-4 1000 1000
fix 4 all indent 1000.0 sphere 10 12.5 0 6.0
fix_modify 4 energy yes
minimize 1.0e-6 1000 1000
fix 4 all indent 1000.0 sphere 10 12.0 0 6.0
fix_modify 4 energy yes
minimize 1.0e-4 1000 1000
fix 4 all indent 1000.0 sphere 10 12.0 0 6.0
fix_modify 4 energy yes
minimize 1.0e-6 1000 1000
fix 4 all indent 1000.0 sphere 10 11.4 0 6.0
fix_modify 4 thermo yes
minimize 1.0e-4 1000 1000
fix 4 all indent 1000.0 sphere 10 11.4 0 6.0
fix_modify 4 energy yes
minimize 1.0e-6 1000 1000
fix 4 all indent 1000.0 sphere 10 11.2 0 6.0
fix_modify 4 thermo yes
minimize 1.0e-4 1000 1000
fix 4 all indent 1000.0 sphere 10 11.2 0 6.0
fix_modify 4 energy yes
minimize 1.0e-6 1000 1000
fix 4 all indent 1000.0 sphere 10 11.0 0 6.0
fix_modify 4 thermo yes
minimize 1.0e-4 1000 1000
fix 4 all indent 1000.0 sphere 10 11.0 0 6.0
fix_modify 4 energy yes
minimize 1.0e-6 1000 1000