From 1c69b9ff23e958696bf058ff0d1dbe3b16a8a8ac Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 20 Jun 2007 13:41:06 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@627 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/crack/in.crack | 8 ++-- examples/flow/in.flow.couette | 4 +- examples/flow/in.flow.poiss | 4 +- examples/friction/in.friction | 4 +- examples/indent/in.indent | 2 +- examples/indent/in.indent.min | 83 +++++++++++++++++------------------ examples/meam/in.meam.shear | 4 +- examples/obstacle/in.obstacle | 4 +- examples/shear/in.shear | 4 +- examples/shear/in.shear.void | 4 +- 10 files changed, 60 insertions(+), 61 deletions(-) diff --git a/examples/crack/in.crack b/examples/crack/in.crack index f0be58cdb5..eca4b83ab7 100644 --- a/examples/crack/in.crack +++ b/examples/crack/in.crack @@ -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 diff --git a/examples/flow/in.flow.couette b/examples/flow/in.flow.couette index 46fc3d7133..9ea023b162 100644 --- a/examples/flow/in.flow.couette +++ b/examples/flow/in.flow.couette @@ -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 diff --git a/examples/flow/in.flow.poiss b/examples/flow/in.flow.poiss index d8b3d79990..67ea6155a6 100644 --- a/examples/flow/in.flow.poiss +++ b/examples/flow/in.flow.poiss @@ -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 diff --git a/examples/friction/in.friction b/examples/friction/in.friction index 44ccfe461d..2d2f1be949 100644 --- a/examples/friction/in.friction +++ b/examples/friction/in.friction @@ -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 diff --git a/examples/indent/in.indent b/examples/indent/in.indent index c413de6822..b7304ea88c 100644 --- a/examples/indent/in.indent +++ b/examples/indent/in.indent @@ -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 diff --git a/examples/indent/in.indent.min b/examples/indent/in.indent.min index b480ef238b..d22cb01a82 100644 --- a/examples/indent/in.indent.min +++ b/examples/indent/in.indent.min @@ -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 diff --git a/examples/meam/in.meam.shear b/examples/meam/in.meam.shear index 0771edfb34..6f6d7c5b2e 100644 --- a/examples/meam/in.meam.shear +++ b/examples/meam/in.meam.shear @@ -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 diff --git a/examples/obstacle/in.obstacle b/examples/obstacle/in.obstacle index addd18f2a7..1ac58b6f15 100644 --- a/examples/obstacle/in.obstacle +++ b/examples/obstacle/in.obstacle @@ -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 diff --git a/examples/shear/in.shear b/examples/shear/in.shear index b04429a4ac..6bcb801e99 100644 --- a/examples/shear/in.shear +++ b/examples/shear/in.shear @@ -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 diff --git a/examples/shear/in.shear.void b/examples/shear/in.shear.void index 623a082908..8015249948 100644 --- a/examples/shear/in.shear.void +++ b/examples/shear/in.shear.void @@ -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