InversePower

InversePowerPotential #

It is a generalized excluded volume potential.

\[U(r) = \epsilon\left(\frac{\sigma}{r}\right)^{n}\]

Example #

[[forcefields.global]]
interaction = "Pair"
potential   = "InversePower"

ignore.particles_within.bond    = 3
ignore.particles_within.contact = 1
ignore.groups.intra = ["chain-A"]
ignore.groups.inter = [["chain-B", "chain-C"]]

spatial_partition.type = "CellList"
spatial_partition.margin = 0.2

cutoff     = 2.5
epsilon    = 0.2
n          = 5
parameters = [
    {index = 0, radius = 2.0}
]

Input Reference #

  • cutoff: Floating (Optional. By default, \(2^{\frac{12}{n}}\) .)
    • Cutoff distance relative to the \( \sigma_{ij} \) .
  • epsilon: Floating
    • It determines the strength of the potential.
  • n: Integer
    • It determines the slope of the potential.
  • index: Integer
    • The index of the particle. The index is 0-based.
  • offset: Integer (Optional. By default, 0)
    • Offset for the index.
  • radius: Floating
    • It determines the effective size of the particle.
    • \( \sigma \) in the above equation is a sum of the radii.

Remarks #

This feature is developed by contributor, @yutakasi634.