Added first test case

This commit is contained in:
Richard Berger
2015-12-24 00:33:33 +01:00
parent 0d1117f76d
commit b24ec4a985
2 changed files with 39 additions and 0 deletions

2
examples/USER/vtk/dipole/.gitignore vendored Normal file
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*.vtr
*.vtp

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# 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