From 1d10147cb66bdd75caa0b9af454f683b8907d62f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 12 May 2021 07:53:18 -0400 Subject: [PATCH] reformat and shorten new example inputs --- examples/multi/in.colloid | 70 +++++++++++++++++++------------------- examples/multi/in.granular | 38 ++++++++++----------- examples/multi/in.powerlaw | 24 ++++++------- 3 files changed, 66 insertions(+), 66 deletions(-) diff --git a/examples/multi/in.colloid b/examples/multi/in.colloid index 71987acbd6..9f9883f61a 100644 --- a/examples/multi/in.colloid +++ b/examples/multi/in.colloid @@ -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 diff --git a/examples/multi/in.granular b/examples/multi/in.granular index 99e9ddfb33..468d0dcbf1 100644 --- a/examples/multi/in.granular +++ b/examples/multi/in.granular @@ -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 diff --git a/examples/multi/in.powerlaw b/examples/multi/in.powerlaw index 213aa3544e..b69e6a56a3 100644 --- a/examples/multi/in.powerlaw +++ b/examples/multi/in.powerlaw @@ -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