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 integrator. For more details on the underlying method, please refer to the `UAMMD BDHI documentation `_. ---- * **type**: ``BDHIOpenBoundary``, ``Lanczos`` * **parameters**: * ``timeStep``: ``real``: Time step :math:`[time]` * ``temperature``: ``real``: Temperature of the system :math:`[energy]` * ``viscosity``: ``real``: Viscosity of the fluid :math:`[mass/(distance \cdot time)]` * ``hydrodynamicRadius``: ``real``: Hydrodynamic radius of the particles :math:`[distance]` (optional, uses particle radius if not specified) * ``tolerance``: ``real``: Tolerance for the iterative solver (default: 1e-3) Example: .. code-block:: "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.