From f356d3bdef1320ebd5b479cf0e0965ce3f260c0e Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 13 Sep 2013 16:10:36 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10783 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/VISCOSITY/README | 6 +++++- examples/VISCOSITY/in.mp.2d | 7 ++++++- examples/VISCOSITY/in.nemd.2d | 13 ++++++++++--- examples/VISCOSITY/in.wall.2d | 7 ++++++- 4 files changed, 27 insertions(+), 6 deletions(-) diff --git a/examples/VISCOSITY/README b/examples/VISCOSITY/README index 92340ae849..78ad48bfc1 100644 --- a/examples/VISCOSITY/README +++ b/examples/VISCOSITY/README @@ -25,6 +25,10 @@ The scripts were all run on a single processor. They all run in a minute or so and produce the accompanying log files and profile files (for velocity or momemtum flux). +See the Movies page of the LAMMPS web site +(http://lammps.sandia.gov/movies.html), for animations of the NEMD +scripts, created using the dump image command. + The state point of the LJ fluid is rho* = 0.6, T* = 1.0, and Rcut = 2.5 sigma. This system should have a shear viscosity of about 1.0. @@ -63,7 +67,7 @@ dMom = -1370.2 from log file, tallied by MP dVelX = 4th column of log output, from fix ave/spatial dY = 1/2 of Y box length -eta = 1.09 = running average output as last log file column +eta = 0.997 = running average output as last log file column (4) in.gk.2d diff --git a/examples/VISCOSITY/in.mp.2d b/examples/VISCOSITY/in.mp.2d index 890d2fb89a..7dc12a10b0 100644 --- a/examples/VISCOSITY/in.mp.2d +++ b/examples/VISCOSITY/in.mp.2d @@ -49,7 +49,7 @@ fix 5 all ave/spatial 20 50 1000 y center 0.05 vx & # equilibration run -variable dVx equal f_5[10][3]-f_5[1][3] +variable dVx equal f_5[11][3]-f_5[1][3] thermo 1000 thermo_style custom step temp epair etotal press f_4 v_dVx @@ -66,6 +66,11 @@ fix vave all ave/time 1000 1 1000 v_visc ave running start 26000 thermo_style custom step temp f_4 v_dVx v_visc f_vave +# only need to run for 10000 steps to make a good 100-frame movie + #dump 1 all custom 100 dump.mp.2d id type x y z vx +#dump 1 all image 100 image.*.jpg vx type zoom 1.6 adiam 1.2 +#dump_modify 1 pad 5 amap -0.7 0.7 ca 0.0 2 min blue max red + run 50000 diff --git a/examples/VISCOSITY/in.nemd.2d b/examples/VISCOSITY/in.nemd.2d index 810943b184..49f5f713fa 100644 --- a/examples/VISCOSITY/in.nemd.2d +++ b/examples/VISCOSITY/in.nemd.2d @@ -66,11 +66,18 @@ run 50000 # data gathering run variable visc equal -pxy/(v_srate/ly) -fix vave all ave/time 10 100 1000 v_visc ave running start 56000 +fix vave all ave/time 10 100 1000 v_visc ave running start 61000 -thermo_style custom step temp press pxy v_visc f_vave xy +thermo_style custom step temp press pxy v_visc f_vave thermo_modify temp tilt -#dump 1 all custom 10 dump.nemd.2d id type x y z vx +# only need to run for 5400 steps to make a good 100-frame movie +# set 54K steps above in equil and 5400 here simply to make good movie +# 54K and 5400 are multiples of box-swap periodicity = 2700 steps + +#dump 1 all custom 50 dump.nemd.2d id type x y z vx + +#dump 1 all image 50 image.*.jpg vx type zoom 1.2 adiam 1.2 +#dump_modify 1 pad 5 amap 0.0 ${srate} ca 0.0 2 min blue max red run 50000 diff --git a/examples/VISCOSITY/in.wall.2d b/examples/VISCOSITY/in.wall.2d index 6b2799705b..ec69d77f94 100644 --- a/examples/VISCOSITY/in.wall.2d +++ b/examples/VISCOSITY/in.wall.2d @@ -73,6 +73,11 @@ fix vave all ave/time 1000 1 1000 v_visc ave running thermo_style custom step temp pxy v_visc f_vave thermo_modify temp tilt -#dump 1 all custom 1000 dump.wall.2d id type x y z +# only need to run for 5000 steps to make a good 100-frame movie + +#dump 1 all custom 50 dump.wall.2d id type x y z vx + +#dump 1 all image 50 image.*.jpg vx type zoom 1.6 adiam 1.2 +#dump_modify 1 pad 5 amap 0.0 ${srate} ca 0.0 2 min blue max red run 50000