From b24ec4a9852be7fe3a8146cf19c8a1cd22f7230e Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 24 Dec 2015 00:33:33 +0100 Subject: [PATCH] Added first test case --- examples/USER/vtk/dipole/.gitignore | 2 ++ examples/USER/vtk/dipole/in.dipole | 37 +++++++++++++++++++++++++++++ 2 files changed, 39 insertions(+) create mode 100644 examples/USER/vtk/dipole/.gitignore create mode 100644 examples/USER/vtk/dipole/in.dipole diff --git a/examples/USER/vtk/dipole/.gitignore b/examples/USER/vtk/dipole/.gitignore new file mode 100644 index 0000000000..b6a50a6fbb --- /dev/null +++ b/examples/USER/vtk/dipole/.gitignore @@ -0,0 +1,2 @@ +*.vtr +*.vtp diff --git a/examples/USER/vtk/dipole/in.dipole b/examples/USER/vtk/dipole/in.dipole new file mode 100644 index 0000000000..a10836018c --- /dev/null +++ b/examples/USER/vtk/dipole/in.dipole @@ -0,0 +1,37 @@ +# Point dipoles in a 2d box + +units lj +atom_style hybrid sphere dipole +dimension 2 + +lattice sq2 0.7 +region box block 0 10 0 10 -0.5 0.5 +create_box 1 box +create_atoms 1 box + +# need both mass settings due to hybrid atom style + +mass 1 1.0 +set group all mass 1.0 +set group all dipole/random 98934 0.75 + +velocity all create 0.0 87287 mom no + +pair_style lj/cut/dipole/cut 2.5 +pair_coeff * * 1.0 1.0 + +neighbor 0.3 bin +neigh_modify delay 0 + +fix 1 all nve/sphere update dipole +fix 2 all enforce2d + +timestep 0.005 + +compute erot all erotate/sphere +thermo_style custom step temp epair c_erot etotal press +thermo 500 + +dump 1 all custom/vtk 500 dump*.vtp id type x y z mux muy + +run 10000