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

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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 minute or so and produce the accompanying log files and profile files
(for velocity or momemtum flux). (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 = 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. 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 dVelX = 4th column of log output, from fix ave/spatial
dY = 1/2 of Y box length 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 (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 # 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 1000
thermo_style custom step temp epair etotal press f_4 v_dVx 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 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 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 run 50000

13
examples/VISCOSITY/in.nemd.2d
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@ -66,11 +66,18 @@ run 50000
# data gathering run # data gathering run
variable visc equal -pxy/(v_srate/ly) 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 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 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_style custom step temp pxy v_visc f_vave
thermo_modify temp tilt 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 run 50000