ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

reformat and shorten new example inputs

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-05-12 07:53:18 -04:00
parent b49d91fa8e
commit 1d10147cb6
3 changed files with 66 additions and 66 deletions
Download Patch File Download Diff File Expand all files Collapse all files

70
examples/multi/in.colloid
View File

@ -1,18 +1,18 @@
# Big colloid particles and small LJ particles # Big colloid particles and small LJ particles
units lj units lj
atom_style sphere atom_style sphere
dimension 2 dimension 2
lattice sq 0.1 lattice sq 0.1
region box block 0 60 0 60 -0.5 0.5 region box block 0 60 0 60 -0.5 0.5
create_box 5 box create_box 5 box
create_atoms 1 box create_atoms 1 box
#Roughly equally partition atoms between types 1-4 #Roughly equally partition atoms between types 1-4
set group all type/fraction 2 0.500 23984 set group all type/fraction 2 0.500 23984
set group all type/fraction 3 0.333 43684 set group all type/fraction 3 0.333 43684
set group all type/fraction 4 0.250 87811 set group all type/fraction 4 0.250 87811
# remove two spheres of small particles and add large particles in the voids # remove two spheres of small particles and add large particles in the voids
region sphere1 sphere 60.0 60.0 0.0 30.0 units box region sphere1 sphere 60.0 60.0 0.0 30.0 units box
@ -22,46 +22,46 @@ delete_atoms region sphere2
create_atoms 5 single 60.0 60.0 0.0 units box create_atoms 5 single 60.0 60.0 0.0 units box
create_atoms 5 single 130.0 130.0 0.0 units box create_atoms 5 single 130.0 130.0 0.0 units box
set type 1 mass 400 set type 1 mass 400
set type 2 mass 1 set type 2 mass 1
velocity all create 1.44 87287 loop geom velocity all create 1.44 87287 loop geom
# multi neighbor and comm for efficiency # multi neighbor and comm for efficiency
neighbor 1 multi #multi/old neighbor 1 multi #multi/old
neigh_modify delay 0 collection/type 2 1*4 5 neigh_modify delay 0 collection/type 2 1*4 5
comm_modify mode multi reduce/multi #multi/old comm_modify mode multi reduce/multi #multi/old
# colloid potential # colloid potential
pair_style colloid 20.0 pair_style colloid 20.0
pair_coeff * * 144.0 1.0 0.0 0.0 3.0 pair_coeff * * 144.0 1.0 0.0 0.0 3.0
pair_coeff 1 5 75.4 1.0 0.0 20.0 14.0 pair_coeff 1 5 75.4 1.0 0.0 20.0 14.0
pair_coeff 2 5 75.4 1.0 0.0 20.0 14.0 pair_coeff 2 5 75.4 1.0 0.0 20.0 14.0
pair_coeff 3 5 75.4 1.0 0.0 20.0 14.0 pair_coeff 3 5 75.4 1.0 0.0 20.0 14.0
pair_coeff 4 5 75.4 1.0 0.0 20.0 14.0 pair_coeff 4 5 75.4 1.0 0.0 20.0 14.0
pair_coeff 5 5 39.5 1.0 20.0 20.0 30.0 pair_coeff 5 5 39.5 1.0 20.0 20.0 30.0
fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 & fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 &
mtk no pchain 0 tchain 1 mtk no pchain 0 tchain 1
fix 2 all enforce2d fix 2 all enforce2d
#dump 1 all atom 1000 dump.colloid #dump 1 all atom 1000 dump.colloid
#dump 2 all image 1000 image.*.jpg type type & #dump 2 all image 1000 image.*.jpg type type &
# zoom 1.5 center d 0.5 0.5 0.5 # zoom 1.5 center d 0.5 0.5 0.5
#dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5 #dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5
#dump 3 all movie 1000 movie.mpg type type & #dump 3 all movie 1000 movie.mpg type type &
# zoom 1.5 center d 0.5 0.5 0.5 # zoom 1.5 center d 0.5 0.5 0.5
#dump_modify 3 pad 5 adiam 1 5.0 adiam 2 1.5 #dump_modify 3 pad 5 adiam 1 5.0 adiam 2 1.5
thermo_style custom step temp epair etotal press vol thermo_style custom step temp epair etotal press vol
thermo 1000 thermo 100
timestep 0.005 timestep 0.005
run 50000 run 2000

38
examples/multi/in.granular
View File

@ -1,13 +1,13 @@
# Big colloid particles and small LJ particles # Big colloid particles and small LJ particles
units lj units lj
atom_style sphere atom_style sphere
dimension 2 dimension 2
lattice sq 0.5 lattice sq 0.5
region box block 0 60 0 60 -0.5 0.5 region box block 0 60 0 60 -0.5 0.5
create_box 2 box create_box 2 box
create_atoms 1 box create_atoms 1 box
change_box all triclinic change_box all triclinic
# remove two spheres of small particles and add large particles in the voids # remove two spheres of small particles and add large particles in the voids
@ -18,17 +18,17 @@ delete_atoms region sphere2
create_atoms 2 single 20.0 20.0 0.0 units box create_atoms 2 single 20.0 20.0 0.0 units box
create_atoms 2 single 60.0 60.0 0.0 units box create_atoms 2 single 60.0 60.0 0.0 units box
set type 2 mass 400 set type 2 mass 400
set type 1 mass 1 set type 1 mass 1
set type 2 diameter 20 set type 2 diameter 20
set type 1 diameter 1 set type 1 diameter 1
velocity all create 1.44 87287 loop geom velocity all create 1.44 87287 loop geom
# multi neighbor and comm for efficiency # multi neighbor and comm for efficiency
neighbor 1 multi #multi/old neighbor 1 multi #multi/old
neigh_modify delay 0 collection/interval 2 1 20 neigh_modify delay 0 collection/interval 2 1 20
comm_modify mode multi vel yes reduce/multi #multi/old comm_modify mode multi vel yes reduce/multi #multi/old
# granular potential # granular potential
@ -36,15 +36,15 @@ comm_modify mode multi vel yes reduce/multi #multi/old
pair_style granular pair_style granular
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
fix 1 all nph/sphere iso 0.0 1.0 10.0 drag 1.0 fix 1 all nph/sphere iso 0.0 1.0 10.0 drag 1.0
fix 2 all enforce2d fix 2 all enforce2d
fix 3 all deform 1 xy erate 1e-3 fix 3 all deform 1 xy erate 1e-3
#dump 1 all custom 1000 dump.granular id x y z radius #dump 1 all custom 1000 dump.granular id x y z radius
thermo_style custom step temp epair etotal press vol thermo_style custom step temp epair etotal press vol
thermo 1000 thermo 100
timestep 0.005 timestep 0.005
run 50000 run 2000

24
examples/multi/in.powerlaw
View File

@ -1,15 +1,15 @@
# Shear power-law distributed granular particles # Shear power-law distributed granular particles
units lj units lj
atom_style sphere atom_style sphere
dimension 2 dimension 2
read_data data.powerlaw read_data data.powerlaw
change_box all triclinic change_box all triclinic
# multi neighbor and comm for efficiency # multi neighbor and comm for efficiency
neighbor 1 multi neighbor 1 multi
neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200 neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200
comm_modify mode multi vel yes reduce/multi comm_modify mode multi vel yes reduce/multi
# granular potential # granular potential
@ -19,15 +19,15 @@ pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping
# fixes # fixes
fix 1 all nve/sphere fix 1 all nve/sphere
fix 2 all enforce2d fix 2 all enforce2d
fix 3 all deform 1 xy erate 1e-4 fix 3 all deform 1 xy erate 1e-4
# dump 1 all custom 20000 dump.granular id x y z radius # dump 1 all custom 20000 dump.granular id x y z radius
thermo_style custom step temp epair etotal press vol pxy thermo_style custom step temp epair etotal press vol pxy
thermo 1000 thermo 100
timestep 0.005 timestep 0.005
run 200000 run 1000