Contact

ContactInteraction #

ContactInteraction is an interaction that depends on the distance between particles.

Basically it is the same as BondLength. But it contains a neighboring list and it skips the calculation if the distance exceeds the cutoff.

The following potentials are available.

Example #

[[forcefields.local]]
interaction = "Contact"
potential   = "GoContact"
topology    = "bond"
margin      = 0.5 # relative length to longest cutoff
parameters  = [
    # required parameters depend on a potential...
    {indices = [0, 1], ... },
]

Input Reference #

  • interaction: String
    • Name of the interaction. Here, it is "BondLength".
  • potential: String
  • topology: String
  • margin: Floating
    • The margin in the neighboring list.
    • It is relative to the maximum cutoff distance.
  • parameters: Array of Tables
    • indices: Array of Integers (length = 2)
      • Indices of particles that interact with each other. The index is 0-based.
    • offset: Integer(Optional. By default, 0.)
      • Offset of index.
    • The other parameter depends on the specified potential.