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reformat and shorten new example inputs

This commit is contained in:
Axel Kohlmeyer 2021-05-12 07:53:18 -04:00
parent b49d91fa8e
commit 1d10147cb6
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3 changed files with 66 additions and 66 deletions
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70
examples/multi/in.colloid
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@ -1,18 +1,18 @@
# Big colloid particles and small LJ particles
units lj
atom_style sphere
dimension 2
units lj
atom_style sphere
dimension 2
lattice sq 0.1
region box block 0 60 0 60 -0.5 0.5
create_box 5 box
lattice sq 0.1
region box block 0 60 0 60 -0.5 0.5
create_box 5 box
create_atoms 1 box
#Roughly equally partition atoms between types 1-4
set group all type/fraction 2 0.500 23984
set group all type/fraction 3 0.333 43684
set group all type/fraction 4 0.250 87811
set group all type/fraction 2 0.500 23984
set group all type/fraction 3 0.333 43684
set group all type/fraction 4 0.250 87811
# 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
@ -22,46 +22,46 @@ delete_atoms region sphere2
create_atoms 5 single 60.0 60.0 0.0 units box
create_atoms 5 single 130.0 130.0 0.0 units box
set type 1 mass 400
set type 2 mass 1
set type 1 mass 400
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
neighbor 1 multi #multi/old
neigh_modify delay 0 collection/type 2 1*4 5
neighbor 1 multi #multi/old
neigh_modify delay 0 collection/type 2 1*4 5
comm_modify mode multi reduce/multi #multi/old
# colloid potential
pair_style colloid 20.0
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 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 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_style colloid 20.0
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 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 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
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
fix 2 all enforce2d
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
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 &
# 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 2 all image 1000 image.*.jpg type type &
# 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 3 all movie 1000 movie.mpg type type &
# 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 3 all movie 1000 movie.mpg type type &
# zoom 1.5 center d 0.5 0.5 0.5
#dump_modify 3 pad 5 adiam 1 5.0 adiam 2 1.5
thermo_style custom step temp epair etotal press vol
thermo 1000
thermo_style custom step temp epair etotal press vol
thermo 100
timestep 0.005
timestep 0.005
run 50000
run 2000

38
examples/multi/in.granular
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@ -1,13 +1,13 @@
# Big colloid particles and small LJ particles
units lj
atom_style sphere
dimension 2
units lj
atom_style sphere
dimension 2
lattice sq 0.5
region box block 0 60 0 60 -0.5 0.5
create_box 2 box
create_atoms 1 box
lattice sq 0.5
region box block 0 60 0 60 -0.5 0.5
create_box 2 box
create_atoms 1 box
change_box all triclinic
# 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 60.0 60.0 0.0 units box
set type 2 mass 400
set type 1 mass 1
set type 2 mass 400
set type 1 mass 1
set type 2 diameter 20
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
neighbor 1 multi #multi/old
neigh_modify delay 0 collection/interval 2 1 20
neighbor 1 multi #multi/old
neigh_modify delay 0 collection/interval 2 1 20
comm_modify mode multi vel yes reduce/multi #multi/old
# granular potential
@ -36,15 +36,15 @@ comm_modify mode multi vel yes reduce/multi #multi/old
pair_style granular
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 2 all enforce2d
fix 1 all nph/sphere iso 0.0 1.0 10.0 drag 1.0
fix 2 all enforce2d
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 1000
thermo_style custom step temp epair etotal press vol
thermo 100
timestep 0.005
timestep 0.005
run 50000
run 2000

24
examples/multi/in.powerlaw
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@ -1,15 +1,15 @@
# Shear power-law distributed granular particles
units lj
atom_style sphere
dimension 2
units lj
atom_style sphere
dimension 2
read_data data.powerlaw
change_box all triclinic
# multi neighbor and comm for efficiency
neighbor 1 multi
neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200
neighbor 1 multi
neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200
comm_modify mode multi vel yes reduce/multi
# granular potential
@ -19,15 +19,15 @@ pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping
# fixes
fix 1 all nve/sphere
fix 2 all enforce2d
fix 1 all nve/sphere
fix 2 all enforce2d
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 1000
thermo_style custom step temp epair etotal press vol pxy
thermo 100
timestep 0.005
timestep 0.005
run 200000
run 1000