Cuboid

Defines a cuboid domain in space and a predicate whether a given position is inside or outside of the domain.

class halmd.mdsim.geometries.cuboid(args)

Construct cuboid geometry instance.

Parameters:
  • args (table) – keyword arguments
  • args.lowest_corner (table) – coordinates of the lower left corner
  • args.length (table) – cuboid edge lengths
  • args.precision (string) – floating point precision (optional)
  • args.label (string) –

    geometry label (default: cuboid)

    The lowest_corner specifies the coordinates of the lower left corner of the cuboid, i.e., the minimal coordinates.

    The supported values for precision are single and double. If precision is not specified, the precision is selected according to the compute device: single for GPU computing and double otherwise.

Note

This module does not perform a validation of the meaningfulness of the domain, i.e. it does not test whether the geometry is placed outside the simulation domain.

lowest_corner

Coordinates of lower left corner.

length

Edge lengths of cuboid.

label

Instance label.