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

This commit is contained in:
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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8
examples/crack/in.crack
View File

@ -39,10 +39,10 @@ region leftlower block INF 20 INF 20 INF INF
group leftupper region leftupper
group leftlower region leftlower
set leftupper atom 2
set leftlower atom 3
set lower atom 4
set upper atom 5
set group leftupper type 2
set group leftlower type 3
set group lower type 4
set group upper type 5
# initial velocities

4
examples/flow/in.flow.couette
View File

@ -32,8 +32,8 @@ group upper region 2
group boundary union lower upper
group flow subtract all boundary
set lower atom 2
set upper atom 3
set group lower type 2
set group upper type 3
# initial velocities

4
examples/flow/in.flow.poiss
View File

@ -32,8 +32,8 @@ group upper region 2
group boundary union lower upper
group flow subtract all boundary
set lower atom 2
set upper atom 3
set group lower type 2
set group upper type 3
# initial velocities

4
examples/friction/in.friction
View File

@ -54,8 +54,8 @@ group hi-fixed region hi-fixed
group boundary union lo-fixed hi-fixed
group mobile subtract all boundary
set lo-fixed atom 4
set hi-fixed atom 4
set group lo-fixed type 4
set group hi-fixed type 4
# initial velocities

2
examples/indent/in.indent
View File

@ -27,7 +27,7 @@ pair_coeff * * 1.0 1.0 2.5
region 1 block INF INF INF 1.25 INF INF
group lower region 1
group mobile subtract all lower
set lower atom 2
set group lower type 2
# initial velocities

83
examples/indent/in.indent.min
View File

@ -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

4
examples/meam/in.meam.shear
View File

@ -25,8 +25,8 @@ group upper region upper
group boundary union lower upper
group mobile subtract all boundary
set lower atom 2
set upper atom 3
set group lower type 2
set group upper type 3
# void

4
examples/obstacle/in.obstacle
View File

@ -32,8 +32,8 @@ group upper region 2
group boundary union lower upper
group flow subtract all boundary
set lower atom 2
set upper atom 3
set group lower type 2
set group upper type 3
# initial velocities

4
examples/shear/in.shear
View File

@ -25,8 +25,8 @@ group upper region upper
group boundary union lower upper
group mobile subtract all boundary
set lower atom 2
set upper atom 3
set group lower type 2
set group upper type 3
# void

4
examples/shear/in.shear.void
View File

@ -25,8 +25,8 @@ group upper region upper
group boundary union lower upper
group mobile subtract all boundary
set lower atom 2
set upper atom 3
set group lower type 2
set group upper type 3
# void