From f5e9b1e021e57b0bc7c81a68964915aee623c9ca Mon Sep 17 00:00:00 2001 From: Trung Nguyen Date: Tue, 29 May 2018 23:59:58 -0500 Subject: [PATCH] Added example input for fix wall rounded/polygon --- examples/body/in.squares | 4 +-- examples/body/in.wall2d | 56 ++++++++++++++++++++++++++++++++++++++++ 2 files changed, 58 insertions(+), 2 deletions(-) create mode 100755 examples/body/in.wall2d diff --git a/examples/body/in.squares b/examples/body/in.squares index 8f949f2cdf..f771c15381 100755 --- a/examples/body/in.squares +++ b/examples/body/in.squares @@ -20,8 +20,8 @@ velocity all create $T ${seed} dist gaussian mom yes rot yes variable cut_inner equal 0.5 variable k_n equal 100 variable k_na equal 2 -variable c_n equal 0.1 -variable c_t equal 0.1 +variable c_n equal 1 +variable c_t equal 1 variable mu equal 0.1 variable delta_ua equal 0.5 diff --git a/examples/body/in.wall2d b/examples/body/in.wall2d new file mode 100755 index 0000000000..19788a9dcd --- /dev/null +++ b/examples/body/in.wall2d @@ -0,0 +1,56 @@ +# 2d rounded polygon bodies + +variable r index 4 +variable steps index 100000 +variable T index 0.5 +variable P index 0.1 +variable seed index 980411 + +units lj +dimension 2 + +atom_style body rounded/polygon 1 6 +atom_modify map array +read_data data.squares + +replicate $r $r 1 + +velocity all create $T ${seed} dist gaussian mom yes rot yes + +change_box all boundary p f p + +variable cut_inner equal 0.5 +variable k_n equal 100 +variable k_na equal 2 +variable c_n equal 0.1 +variable c_t equal 0.1 +variable mu equal 0.1 +variable delta_ua equal 0.5 + +pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner} +pair_coeff * * ${k_n} ${k_na} + +comm_modify vel yes + +neighbor 0.5 bin +neigh_modify every 1 delay 0 check yes + +timestep 0.001 + +#fix 1 all nve/body +#fix 1 all nvt/body temp $T $T 1.0 +fix 1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0 + +fix 2 all enforce2d +fix 3 all wall/body/polygon 2000 50 50 yplane 0.0 48.0 + +compute 1 all body/local id 1 2 3 +dump 1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4] + +thermo_style custom step ke pe etotal press +thermo 1000 + +#dump 2 all image 10000 image.*.jpg type type zoom 2.0 adiam 1.5 body yes 0 0 +#dump_modify 2 pad 6 + +run ${steps}