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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10783 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-09-13 16:10:36 +00:00
parent 97ced25de0
commit f356d3bdef
4 changed files with 27 additions and 6 deletions
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6
examples/VISCOSITY/README
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@ -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

7
examples/VISCOSITY/in.mp.2d
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@ -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

13
examples/VISCOSITY/in.nemd.2d
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@ -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

7
examples/VISCOSITY/in.wall.2d
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@ -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