This variable decides the shape of the simulation box.
The default is minimum for finite systems and parallelepiped for periodic systems.
Note that some incompatibilities apply:
Spherical or minimum mesh is not allowed for periodic systems.
Cylindrical mesh is not allowed for systems that are periodic in more than one dimension.
box_image is only allowed in 2D.
The simulation box will be a sphere of radius Radius. (In 2D, this is a circle.)
The simulation box will be a cylinder with radius Radius and height (in the x-direction)
of 2 Xlength.
The simulation box will be constructed by adding spheres created around each
atom (or user-defined potential), of radius Radius.
The simulation box will be a parallelepiped whose dimensions are taken from
the variable Lsize.
The simulation box will be defined through an image, specified with BoxShapeImage.
White (RGB = 255,255,255) means that the point
is contained in the simulation box, while any other color means that the point is out.
The image will be scaled to fit Lsize, while its resolution will define the default Spacing.
The actual box may be slightly larger than Lsize to ensure one grid point = one pixel for
The simulation box will be defined by a file read using the CGAL library.
The file name needs to be specified with BoxCgalFile.
Lsize needs to be large enough to contain the shape defined in the file.
The shape of the simulation box will be read from the variable BoxShapeUsDef.
The lattice parameters (a, b, c).
This variable is mandatory for periodic systems and is ignored otherwise.
When PeriodicDimensions = 3, a second optional line can be used to
define the angles between the lattice vectors. If the angles are not
provided, then the variable LatticeVectors must be set.
The number of parameters specified in the block must be at least equal
to the number of periodic dimensions, but it is not mandatory to
specify parameters for the non-periodic dimensions (in that case they
are set to 1).