jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

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
This commit is contained in:
athomps 2010-04-07 18:33:22 +00:00
parent 169ffd2711
commit 9921249796
4 changed files with 8 additions and 5 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
examples/colloid/in.colloid
View File

@ -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

3
examples/ellipse/in.ellipse.gayberne
View File

@ -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}

3
examples/ellipse/in.ellipse.resquared
View File

@ -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}

4
examples/min/in.min.box
View File

@ -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