diff --git a/dpd-2d-reverse-polymer/genid_def.sh b/dpd-2d-reverse-polymer/genid_def.sh index 5f08ec5..37da410 100755 --- a/dpd-2d-reverse-polymer/genid_def.sh +++ b/dpd-2d-reverse-polymer/genid_def.sh @@ -1,6 +1,5 @@ #! /bin/bash -<<<<<<< HEAD varlist="R stfx" R_list="0.010000 0.013594 \ @@ -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="" diff --git a/dpd-2d-reverse-polymer/in.generic b/dpd-2d-reverse-polymer/in.generic index f44324c..6cec14b 100644 --- a/dpd-2d-reverse-polymer/in.generic +++ b/dpd-2d-reverse-polymer/in.generic @@ -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 diff --git a/dpd-2d-reverse-polymer/run.sh b/dpd-2d-reverse-polymer/run.sh index fd4ac4e..351d68f 100755 --- a/dpd-2d-reverse-polymer/run.sh +++ b/dpd-2d-reverse-polymer/run.sh @@ -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 diff --git a/dpd-2d-reverse-polymer/runone.sh b/dpd-2d-reverse-polymer/runone.sh index 5010d38..324da14 100755 --- a/dpd-2d-reverse-polymer/runone.sh +++ b/dpd-2d-reverse-polymer/runone.sh @@ -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 + diff --git a/dpd-2d-reverse-polymer/units.mac b/dpd-2d-reverse-polymer/units.mac index 3da3db7..8f1dada 100644 --- a/dpd-2d-reverse-polymer/units.mac +++ b/dpd-2d-reverse-polymer/units.mac @@ -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);