ConstraintForceField #

ConstraintForceField is a set of consraints on a distance between two particles.

Currently, only g-BAOABLangevin integrator can handle this.

Example #

[[forcefields.constraint]]
topology      = "bond"
max_iteration = 500
tolerance     = 1e-6
parameters  = [
    {indices = [0, 1], offset = 100, v0 = 3.8},
    # ...
]

Input Reference #

• topology: String
  • Name of this constraint on "Topology"
• max_iteration: Integer
  • It repeats the correction up to this number of times until convergence.
  • If it does not converge, a warning will be shown. In most cases, it will diverge.
• tolerance: Floating
  • Tolerance to be used in convergence check.
• parameters: Array of Tables
  • indices: Array of Integers (length = 2)
    • The index of particles to be constrained. The index is 0-based.
  • offset: Integer(Optional. By default, 0.)
    • Offsets of index.
  • v0: Floating
    • The reference distance between particles.

Remarks #

This feature is developed by contributor, @yutakasi634.