From 9921249796c15417adefebf26f3d68a2fbe5961f Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 7 Apr 2010 18:33:22 +0000
Subject: [PATCH] Final changes to fix_box_relax and fix_nh
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3959 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
examples/colloid/in.colloid | 3 ++-
examples/ellipse/in.ellipse.gayberne | 3 ++-
examples/ellipse/in.ellipse.resquared | 3 ++-
examples/min/in.min.box | 4 ++--
4 files changed, 8 insertions(+), 5 deletions(-)
diff --git a/examples/colloid/in.colloid b/examples/colloid/in.colloid
index 589b4478e3..27e6e32f4e 100644
--- a/examples/colloid/in.colloid
+++ b/examples/colloid/in.colloid
@@ -29,7 +29,8 @@ pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
-fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0
+fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 &
+ mtk no pchain 0 tchain 1
fix 2 all enforce2d
dump 1 all atom 200 dump.colloid
diff --git a/examples/ellipse/in.ellipse.gayberne b/examples/ellipse/in.ellipse.gayberne
index 870c7bfe2b..b739082994 100644
--- a/examples/ellipse/in.ellipse.gayberne
+++ b/examples/ellipse/in.ellipse.gayberne
@@ -47,7 +47,8 @@ dump 1 all custom 100 dump.ellipse.gayberne &
#dump 1 all custom 100 dump.ellipse.resquared &
# id type x y z quatw quati quatj quatk
-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
fix 2 all enforce2d
compute_modify 1_temp extra ${dof}
diff --git a/examples/ellipse/in.ellipse.resquared b/examples/ellipse/in.ellipse.resquared
index 2843dfd701..c7a2030f9e 100644
--- a/examples/ellipse/in.ellipse.resquared
+++ b/examples/ellipse/in.ellipse.resquared
@@ -47,7 +47,8 @@ timestep 0.002
dump 1 all custom 100 dump.ellipse.resquared &
id type x y z quatw quati quatj quatk
-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
fix 2 all enforce2d
compute_modify 1_temp extra ${dof}
diff --git a/examples/min/in.min.box b/examples/min/in.min.box
index 9850309034..509d78d12e 100644
--- a/examples/min/in.min.box
+++ b/examples/min/in.min.box
@@ -36,9 +36,9 @@ dump_modify 1 every 25
thermo 50
minimize 1.0e-6 0.001 1000 10000
-fix 3 all box/relax x 1.0 y 2.0 vmax 1.0e-4 nreset 1000
+fix 3 all box/relax x 1.0 y 2.0 vmax 1.0e-4 nreset 100
thermo_style custom step temp pe pxx pyy pxy
min_modify line quadratic
-minimize 0.0 1.0e-3 10000 100000
+minimize 0.0 1.0e-6 10000 100000
--
GitLab