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Merge branch 'master' of ssh://localhost:3022/home/gruppe_sph/git/lam…
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…mps-configs

Conflicts:
	dpd-2d-reverse-polymer/genid_def.sh
	dpd-2d-reverse-polymer/in.generic
	dpd-2d-reverse-polymer/run.sh
	dpd-2d-reverse-polymer/runone.sh
	dpd-2d-reverse-polymer/units.mac
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slitvinov committed Feb 22, 2012
2 parents 21d5b51 + 374f321 commit 4ac8d4a
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Showing 5 changed files with 34 additions and 39 deletions.
10 changes: 0 additions & 10 deletions dpd-2d-reverse-polymer/genid_def.sh
@@ -1,6 +1,5 @@
#! /bin/bash

<<<<<<< HEAD
varlist="R stfx"
R_list="0.010000
0.013594 \
Expand All @@ -19,20 +18,11 @@ R_list="0.010000
0.735642 \
1.000000"
stfx_list="10 20"
=======
varlist="gx"
gx_list=0.25
>>>>>>> 9c16eb91efcd5e89d663494843af111f586d3610


NS="~"
FS="~"

CHECK_VALID_VAL=0
<<<<<<< HEAD
prefix="relax"
=======
prefix="long"
>>>>>>> 9c16eb91efcd5e89d663494843af111f586d3610
suffix=""

5 changes: 1 addition & 4 deletions dpd-2d-reverse-polymer/in.generic
Expand Up @@ -4,15 +4,12 @@
#variable simulationtype string "deform-shear"
#variable simulationtype string "reverse-poiseuille"
#variable simulationtype string "free-polymers"
<<<<<<< HEAD
#variable simulationtype string "wall-stretching"
#variable simulationtype string "deform-stretching"
variable simulationtype string "deform-relaxation"
=======
variable simulationtype string "wall-stretching"
#variable simulationtype string "wall-stretching"
#variable simulationtype string "deform-stretching"
#variable simulationtype string "deform-relaxation"
>>>>>>> 9c16eb91efcd5e89d663494843af111f586d3610
#variable simulationtype string "wall-stretching"
echo both
units si
Expand Down
8 changes: 2 additions & 6 deletions dpd-2d-reverse-polymer/run.sh
Expand Up @@ -3,15 +3,11 @@
set -e
set -u

<<<<<<< HEAD


for R in $(./genid.sh list=R); do
for stfx in $(./genid.sh list=stfx); do
echo ${R}
echo ${stfx}
done
done | ~/bin/parallel -N2 --verbose ./runone.sh {1} {2}
=======
for gx in $(./genid.sh list=gx); do
echo ${gx}
done | ~/bin/parallel -N1 -j 8 --verbose ./runone.sh {1}
>>>>>>> 9c16eb91efcd5e89d663494843af111f586d3610
6 changes: 2 additions & 4 deletions dpd-2d-reverse-polymer/runone.sh
Expand Up @@ -30,8 +30,6 @@ ${lmp} ${vars} -in in.geninit
Npoly=full \
addangle=0

<<<<<<< HEAD

${mpirun} -np 1 nice -n 19 ${lmp} ${vars} -in in.main
=======
${mpirun} -np 8 ${lmp} ${vars} -in in.main
>>>>>>> 9c16eb91efcd5e89d663494843af111f586d3610

44 changes: 29 additions & 15 deletions dpd-2d-reverse-polymer/units.mac
Expand Up @@ -5,22 +5,36 @@ eq[2]: m = M;
eq[3]: kT = M*L^2/T^2;
sol: solve([eq[1], eq[2], eq[3]], [L, M, T])[1];

/* dimensionless form */
eta_fed: eta/ (L^2/T);
/* sound speed */
c_fed: c/ (L/T);
/* body force */
f_fed: f/ (L/T^2);

/* domain size */
Lx_fed: Lx / L;

/* set numerical values */
num_env: [dx=2.5e-5, kT=1.38e-14,
rho=1e3, m=rho*dx^3];

/* here what you get in Fedosov units */
float(ev(eta_fed, sol, num_env, eta=4.5e-5, eval, eval));
float(ev(c_fed, sol, num_env, c=3e-1, eval, eval));
float(ev(f_fed, sol, num_env, f=6.12, eval, eval));
float(ev(Lx_fed, sol, num_env, Lx=1.803e-3, eval, eval));
fed_to_sdpd(units, val):= block([var, aux],
eqlocal: aux=var/units,
float(ev(rhs(solve(eqlocal, var)[1]), sol, num_env, aux=val, eval, eval))
);

sdpd_to_fed(units, val):= block([var, aux],
eqlocal: aux=var*units,
float(ev(rhs(solve(eqlocal, var)[1]), sol, num_env, aux=val, eval, eval))
);

/* sound speed */
fed_to_sdpd(L/T, 10.0);
/* force */
fed_to_sdpd(L/T^2, 0.25);
/* velocities */
fed_to_sdpd(L/T, 1.3);
/* domain size */
fed_to_sdpd(L, 50);
/* dynamic viscosity */
fed_to_sdpd(M/(L*T), 42);
/* ks */
fed_to_sdpd(L^2/T^2*M / L^2, 50);

/* rmax */
fed_to_sdpd(L, 1.0);


sdpd_to_fed(L, 0.00180281196288426);
sdpd_to_fed(L/T, 0.04);

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