DPStokes -------- The DPStokes integrator implements Brownian Dynamics with Hydrodynamic Interactions for doubly periodic systems using the Doubly Periodic Stokes (DPStokes) method. This integrator is a wrapper around the UAMMD DPStokesSlab_ns::DPStokesIntegrator. For more details on the underlying method, please refer to the `UAMMD BDHI documentation `_. ---- * **type**: ``BDHIDoublyPeriodic``, ``DPStokes`` * **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]` * ``nx``, ``ny``: ``int``: Number of grid points in x and y directions * ``nz``: ``int``: Number of grid points in z direction (optional) * ``Lx``, ``Ly``: ``real``: Box size in x and y directions :math:`[distance]` * ``H``: ``real``: Height of the simulation box :math:`[distance]` * ``w``: ``real``: Width of the Gaussian kernel :math:`[distance]` * ``beta``: ``real``: Regularization parameter for the Gaussian kernel (optional) * ``alpha``: ``real``: Regularization parameter for the wall (optional) * ``w_d``: ``real``: Width of the Gaussian kernel for the derivative (optional) * ``beta_d``: ``real``: Regularization parameter for the derivative kernel (optional) * ``alpha_d``: ``real``: Regularization parameter for the wall derivative (optional) * ``mode``: ``string``: Wall mode ("none", "bottom", or "slit") * ``tolerance``: ``real``: Tolerance for the iterative solver (default: 1e-7) Example: .. code-block:: "dpstokes":{ "type":["BDHIDoublyPeriodic","DPStokes"], "parameters":{ "timeStep": 0.01, "temperature": 1.0, "viscosity": 1.0, "hydrodynamicRadius": 0.5, "nx": 64, "ny": 64, "Lx": 32.0, "Ly": 32.0, "H": 10.0, "w": 0.5, "mode": "slit", "tolerance": 1e-6 } } .. note:: This integrator is suitable for systems with periodic boundary conditions in two dimensions and various boundary conditions in the third dimension. .. warning:: This integrator requires that the particle group contains all particles in the system.