Lanczos

The Lanczos integrator implements Brownian Dynamics with Hydrodynamic Interactions for open boundary systems using the Lanczos method. This integrator is a wrapper around the UAMMD BDHI::EulerMaruyama<BDHI::Lanczos> integrator.

For more details on the underlying method, please refer to the UAMMD BDHI documentation.

  • type: BDHIOpenBoundary, Lanczos

  • parameters:

    • timeStep: real: Time step \([time]\)

    • temperature: real: Temperature of the system \([energy]\)

    • viscosity: real: Viscosity of the fluid \([mass/(distance \cdot time)]\)

    • hydrodynamicRadius: real: Hydrodynamic radius of the particles \([distance]\) (optional, uses particle radius if not specified)

    • tolerance: real: Tolerance for the iterative solver (default: 1e-3)

Example:

"lanczos":{
  "type":["BDHIOpenBoundary","Lanczos"],
  "parameters":{
    "timeStep": 0.01,
    "temperature": 1.0,
    "viscosity": 1.0,
    "hydrodynamicRadius": 0.5,
    "tolerance": 1e-4
  }
}

Note

This integrator is suitable for systems with open boundary conditions in all directions.

Warning

This integrator assumes that particle masses and radii are defined in the particle data.