RectangularBox #

RectangularBox interaction keeps particles inside a box.

If any particle locates outside of the box at the initial configuration, it fails to start.

This interaction does not work under the periodic boundary condition.

Example #

[[forcefields.external]]
interaction = "RectangularBox"
potential   = "ExcludedVolumeWall"

box.lower   = [  0.0,   0.0,   0.0]
box.upper   = [100.0, 100.0, 100.0]
box.margin  = 0.4

# potential related
epsilon     = 0.1
parameters  = [
    {index = 0, radius = 1.0}, # required parameters depend on potential.
]

Input reference #

• interaction: String
  • Name of the interaction. Here, it is "RectangularBox".
• potential: String
  • "LennardJonesWall"
  • "ExcludedVolumeWall"
• box: Table
  • box.lower: Array of Floats
    • lower boundary of the box.
  • box.upper: Array of Floats
    • upper boundary of the box.
  • box.margin: Float
    • margin of the neighboring list, relative to the cutoff length.