Skip to content

HTTPS clone URL

Subversion checkout URL

You can clone with
or
.
Download ZIP
  • 3 commits
  • 10 files changed
  • 0 commit comments
  • 1 contributor
Commits on Jul 27, 2012
Xie Qingguang Add post-processing 1d08d4c
Xie Qingguang From nana a7f295c
Xie Qingguang Merge branch 'local_octave' of github.com:qingguang/lammps-sph into l…
…ocal_octave

Conflicts:
	examples/USER/sph/sdpd-polymer-roller/2d-vars.lmp
	examples/USER/sph/sdpd-polymer-roller/run.sh
	examples/USER/sph/sdpd-polymer-roller/sdpd-polymer-run.lmp
81c191d
View
4 examples/USER/sph/script/fitEk.gp
@@ -10,8 +10,8 @@ fit t(x) "<tail -12 spectra.dat" via c
set logscale
set xlabel "k"
set ylabel "Ek"
-#set key right
-plot "spectra.dat" title "4RF 2D solvent", t(x) title "Ek~k^1"
+set key left
+plot "spectra.dat" title "4RF 2D polymer projection2.5", t(x) title "Ek~k^1"
#plot "spectra.dat"title "Ek-k in 3D polymer Kolmogorov Re=0.87 Wi=2.6", f(x) title "Best-Fit Ek~k^1.54"
#plot "spectra.dat"title "Ek-k in 3D polymer deform Re=1 Wi~260",f(x) title "Fit Curve Tail part Ek~k^-3.1",t(x) title "Fit Curve Ek~k^-2.5"
View
2  examples/USER/sph/script/pje.sh
@@ -8,7 +8,7 @@ for filename in dump*.dat; do echo $filename;
#awk 'fl{print $3, $4, $5, $6,$7,$8} /ITEM: ATOMS/{fl=1}' $filename > ${filename/.dat/.del};
#Format: zs_sph_projection num_dim num_particles L Overlap input_filename file_type kernel_type projection_order
awk 'fl{print $3, $4, $6, $7} /ITEM: ATOMS/{fl=1}' $filename > ${filename/.dat/.del};
-./zs_mls_projection 2 96 0.08 1.9 ${filename/.dat/.del} 2 2 2 ;
+./zs_mls_projection 2 96 0.08 2.0 ${filename/.dat/.del} 2 2 2 ;
done
#awk 'fl{print $3, $4, $5, $6,$7,$8} /ITEM: ATOMS/{fl=1}' dump0*.dat > projection*.dat
#./zs_mls_projection 3 20 1 1.8 dump*.del 2 2 2
View
2  examples/USER/sph/sdpd-polymer-roller/2d-image.lmp
@@ -3,7 +3,7 @@ variable abond equal 0.25*${dx}
variable ximgsize equal 600
variable yimgsize equal round(${ximgsize}*${Ly}/${Lx})
-dump imgDump all image ${Nfreq} image.*.jpg type type atom yes bond atom ${abond} adiam ${adiam} view 0 0 zoom 1.8 &
+dump imgDump all image ${Nfreqimage} image.*.jpg type type atom yes bond atom ${abond} adiam ${adiam} view 0 0 zoom 1.8 &
box no 0.01 size ${ximgsize} ${yimgsize}
#dump imgDump all image ${Nfreqimage} image.*.jpg v_velxy type atom yes bond atom ${abond} adiam ${adiam} view 0 0 zoom 1.8 &
#box no 0.01 size ${ximgsize} ${yimgsize}
View
22 examples/USER/sph/sdpd-polymer-roller/2d-model.lmp
@@ -2,21 +2,27 @@ variable dim equal 2
variable kb equal 1.3806503e-23
variable dx equal 8.333333e-4
-variable Ly equal 96*${dx}
-variable Lx equal 96*${dx}
-variable sdpd_rho equal 1
+variable Ly equal 32*${dx}
+variable Lx equal 32*${dx}
+variable sdpd_rho_solvent equal 1
+variable sdpd_rho_polymer equal 1
variable sdpd_rho0 equal 1
variable sdpd_c equal 20
-variable sdpd_eta equal 1e-2
+variable sdpd_eta_s equal 1e-2
+variable sdpd_eta_p equal 3e-2
+
+variable sdpd_mu equal ${sdpd_eta_p}/${sdpd_rho_polymer}
variable sdpd_background equal 1.0
-variable sdpd_temp equal 1e15
-variable sdpd_mu equal ${sdpd_eta}/${sdpd_rho}
+variable sdpd_temp equal 1
+variable sdpd_fene_temp equal 1e15
variable h equal 2.7*${dx}
variable A_kol equal 54
variable Nfreq equal 10000
variable Nfreqimage equal 1000
variable r0 equal 3^(1.0/${dim})*${dx}
-variable H equal 100*${sdpd_temp}*${kb}/${r0}^2
+variable spring_temp equal 1e15
+variable H equal 100*${spring_temp}*${kb}/${r0}^2
-variable sdpd_mass equal ${sdpd_rho}*${dx}^${dim}
+variable solvent_mass equal ${sdpd_rho_solvent}*${dx}^${dim}
+variable polymer_mass equal ${sdpd_rho_polymer}*${dx}^${dim}
View
4 examples/USER/sph/sdpd-polymer-roller/2d-morris.lmp
@@ -5,10 +5,10 @@ variable dx equal ${Ly}/${Ny}
variable sdpd_rho equal 1000
variable sdpd_rho0 equal 1000
variable sdpd_c equal 1.25e-4
-variable sdpd_eta equal 1e-3
+variable sdpd_eta_s equal 1e-3
variable sdpd_background equal 1.0
variable sdpd_temp equal 0.0
-variable sdpd_mu equal ${sdpd_eta}/${sdpd_rho}
+variable sdpd_mu equal ${sdpd_eta_s}/${sdpd_rho}
variable h equal 2.7*${dx}
variable gx equal 1e-4
variable Nfreq equal 1000
View
4 examples/USER/sph/sdpd-polymer-roller/2d-vars-copy.lmp
@@ -8,10 +8,10 @@ variable Lx equal 64*${dx}
variable sdpd_rho equal 1000
variable sdpd_rho0 equal 1000
variable sdpd_c equal 3e-1
-variable sdpd_eta equal 1.5e-1
+variable sdpd_eta_s equal 1.5e-1
variable sdpd_background equal 1.0
variable sdpd_temp equal 1e14
-variable sdpd_mu equal ${sdpd_eta}/${sdpd_rho}
+variable sdpd_mu equal ${sdpd_eta_s}/${sdpd_rho}
variable h equal 2.7*${dx}
variable A_kol equal 400
View
29 examples/USER/sph/sdpd-polymer-roller/2d-vars.lmp
@@ -2,26 +2,27 @@ variable dim equal 2
variable kb equal 1.3806503e-23
variable dx equal 8.333333e-4
-variable Ly equal 20*${dx}
-variable Lx equal 20*${dx}
-
-variable rho_solvent equal 1
-variable rho_polymer equal 1000
-
+variable Ly equal 32*${dx}
+variable Lx equal 32*${dx}
+variable sdpd_rho_solvent equal 1
+variable sdpd_rho_polymer equal 1
+variable sdpd_rho0 equal 1
variable sdpd_c equal 20
-variable sdpd_eta equal 1e-2
+variable sdpd_eta_s equal 1e-2
+variable sdpd_eta_p equal 3e-2
+
+variable sdpd_mu equal ${sdpd_eta_p}/${sdpd_rho_polymer}
variable sdpd_background equal 1.0
-variable sdpd_temp equal 0.0
-variable sdpd_mu equal ${sdpd_eta}/${rho_solvent}
+variable sdpd_temp equal 1
+variable sdpd_fene_temp equal 1e15
variable h equal 2.7*${dx}
-#variable A_kol equal 54
-variable A_kol equal 0.0
-variable Nfreq equal 1000
+variable A_kol equal 54
+variable Nfreq equal 10000
variable Nfreqimage equal 1000
variable r0 equal 3^(1.0/${dim})*${dx}
variable spring_temp equal 1e15
variable H equal 100*${spring_temp}*${kb}/${r0}^2
-variable solvent_mass equal ${rho_solvent}*${dx}^${dim}
-variable polymer_mass equal ${rho_polymer}*${dx}^${dim}
+variable solvent_mass equal ${sdpd_rho_solvent}*${dx}^${dim}
+variable polymer_mass equal ${sdpd_rho_polymer}*${dx}^${dim}
View
4 examples/USER/sph/sdpd-polymer-roller/3d-vars-pi.lmp
@@ -5,8 +5,8 @@ variable Lz equal ${L}
variable dx equal ${L}/32
variable sdpd_rho equal 1
variable sdpd_c equal 1
-variable sdpd_eta equal 3.24e-1
-variable sdpd_mu equal ${sdpd_eta}/${sdpd_rho}
+variable sdpd_eta_s equal 3.24e-1
+variable sdpd_mu equal ${sdpd_eta_s}/${sdpd_rho}
variable h equal 2.7*${dx}
variable gx equal 6.12
variable Nfreq equal 1000
View
4 examples/USER/sph/sdpd-polymer-roller/run.sh
@@ -10,7 +10,7 @@ else
exit -1
fi
-nproc=1
+nproc=6
ndim=2d
cp ${ndim}-vars.lmp ${ndim}-model.lmp
@@ -21,7 +21,7 @@ ${restart2data} poly3d.restart poly3d.txt
# -v Nbeads=10 -v Nsolvent=10 -v Npoly=full gives one half of the
# -domain filled with polymers
- awk -v cutoff=3.0 -v Nbeads=10 -v Nsolvent=250 -v Npoly=1 \
+ awk -v cutoff=3.0 -v Nbeads=6 -v Nsolvent=6 -v Npoly=full \
-f addpolymer.awk poly3d.txt > poly3.txt
nbound=$(tail -n 1 poly3.txt | awk '{print $1}')
sed "s/_NUMBER_OF_BOUNDS_/$nbound/1" poly3.txt > poly3d.txt
View
9 examples/USER/sph/sdpd-polymer-roller/sdpd-polymer-run.lmp
@@ -14,13 +14,14 @@ bond_style fene
group solvent type 1
group polymer type 2
-set group solvent meso_rho ${rho_solvent}
-set group polymer meso_rho ${rho_polymer}
+set group solvent meso_rho ${sdpd_rho_solvent}
+set group polymer meso_rho ${sdpd_rho_polymer}
pair_style hybrid/overlay sdpd/rhosum 1 sdpd
pair_coeff * * sdpd/rhosum ${h}
-pair_coeff 1 * sdpd ${rho_solvent} ${sdpd_c} ${sdpd_eta} ${h} ${sdpd_temp} ${sdpd_background}
-pair_coeff 2 * sdpd ${rho_polymer} ${sdpd_c} ${sdpd_eta} ${h} ${sdpd_temp} ${sdpd_background}
+pair_coeff 1 1 sdpd ${sdpd_rho_solvent} ${sdpd_c} ${sdpd_eta_s} ${h} ${sdpd_temp} ${sdpd_background}
+pair_coeff 1 2 sdpd ${sdpd_rho_solvent} ${sdpd_c} ${sdpd_eta_p} ${h} ${sdpd_temp} ${sdpd_background}
+pair_coeff 2 2 sdpd ${sdpd_rho_polymer} ${sdpd_c} ${sdpd_eta_p} ${h} ${sdpd_temp} ${sdpd_background}
compute rho_peratom all meso_rho/atom
compute e_peratom all meso_e/atom

No commit comments for this range

Something went wrong with that request. Please try again.