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lammps/tools/moltemplate/examples/silly/sierpinski/moltemplate_files/sierpinski_cubes.lt
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sierpinski_cubes.lt
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import "al_cell.lt" # <- defines the 4-atom "AlCell" FCC Aluminum unit cell
# A Sierpinski cube resembles a 3x3x3 Rubik's-cube-like object with the smaller
# cube in each central face (and in the interior) removed. There are 3x3x3-7=20
# remaining sub-cubes. Each of these 20 sub-cubes is a smaller SierpinskiCube.
# To build a SierpinskiCube, you can list all 20 sub-cubes, or you can fill a
# 3x3x3 cube with sub-cubes and delete the interior sub-cubes. (The later
# approach is used in file "elegant_inefficient_version/sierpinski_cubes.lt")
SierpinskiCubeLvl1 {
# Again, a Sierpinski-cube is constructed of 20 smaller cube-shaped objects.
# Here, the small cube-shaped objects are "AlCells" (defined in "al_cell.lt").
# I could list out the positions of all 20 AlCells, (and this would be clearer
# for the reader). However instead I built it from a combination of
# two-dimensional and three-dimensional arrays of AlCells (explained below).
# The next command creates 4 AlCells at: (0, 4.05, 0.0), (8.1, 4.05, 0.0),
# (0, 4.05, 8.1), (8.1, 4.05, 8.1)
cells_xz = new AlCell.move(0.00, 4.05, 0.00) [2].move(8.10, 0.0, 0.0 )
[2].move(0.0, 0.0, 8.10)
# The next command creates 4 AlCells at: (4.05, 0, 0.0), (4.05, 8.1, 0.0),
# (4.05, 0, 8.1), (4.05, 8.1, 8.1)
cells_yz = new AlCell.move(4.05, 0.00, 0.00) [2].move(0.0, 8.10, 0.0 )
[2].move(0.0, 0.0, 8.10)
# The next command creates 12 AlCells (2x2x3) at:
# (0.0, 0.0, 0.0), (0.0, 0.0, 4.05), (0.0, 0.0, 8.1)
# (0.0, 8.1, 0.0), (0.0, 8.1, 4.05), (0.0, 8.1, 8.1)
# (8.1, 8.1, 0.0), (8.1, 8.1, 4.05), (8.1, 8.1, 8.1)
cells_z = new AlCell [2].move(8.10, 0.00, 0.00)
[2].move(0.00, 8.10, 0.00)
[3].move(0.00, 0.00, 4.05)
}
SierpinskiCubeLvl2 {
# Identical arrangement to SierpinskiCube1 (with 3x larger length scales)
cells_xz= new SierpinskiCubeLvl1.move(0.0,12.15,0.0) [2].move(24.3, 0.0, 0.0 )
[2].move(0.0, 0.0, 24.3)
cells_yz= new SierpinskiCubeLvl1.move(12.15,0.0,0.0) [2].move(0.0, 24.3, 0.0 )
[2].move(0.0, 0.0, 24.3)
cells_z = new SierpinskiCubeLvl1 [2].move(24.3, 0.00, 0.00)
[2].move(0.00, 24.3, 0.00)
[3].move(0.00, 0.00, 12.15)
}
SierpinskiCubeLvl3 {
# Identical arrangement to SierpinskiCube2 (with 3x larger length scales)
cells_xz= new SierpinskiCubeLvl2.move(0.0,36.45,0.0) [2].move(72.9, 0.0, 0.0 )
[2].move(0.0, 0.0, 72.9)
cells_yz= new SierpinskiCubeLvl2.move(36.45,0.0,0.0) [2].move(0.0, 72.9, 0.0 )
[2].move(0.0, 0.0, 72.9)
cells_z = new SierpinskiCubeLvl2 [2].move(72.9, 0.00, 0.00)
[2].move(0.00, 72.9, 0.00)
[3].move(0.00, 0.00, 36.45)
}
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