espressomd.detail package

Submodules

espressomd.detail.walberla module

class espressomd.detail.walberla.LatticeModel

Bases: object

get_nodes_inside_shape(shape=None)

Provide a generator for iterating over all nodes inside the given shape.

Parameters:

shape (espressomd.shapes.Shape) – Shape to use as filter.

get_shape_bitmask(shape=None)

Create a bitmask for the given shape.

Parameters:

shape (espressomd.shapes.Shape) – Shape to rasterize.

load_checkpoint(path, binary)

save_checkpoint(path, binary)

class espressomd.detail.walberla.LatticeWalberla(*args, **kwargs)

Bases: ScriptInterfaceHelper

Interface to a waLBerla lattice.

Parameters:

• agrid (float) – Lattice constant. The box size in every direction must be an integer multiple of agrid. Cannot be provided together with lattice.

• n_ghost_layers (int, optional) – Lattice ghost layer thickness in units of agrid.

• blocks_per_mpi_rank ((3,) array_like of int, optional) – Distribute more than one block to each MPI rank. Meant to improve cache locality. Experimental.

classmethod default_params()

get_node_indices_inside_shape(shape)

get_shape_bitmask(shape)

Create a bitmask for the given shape.

classmethod required_keys()

classmethod valid_keys()

class espressomd.detail.walberla.VTKOutputBase(*args, **kwargs)

Bases: ScriptInterfaceHelper

default_params()

valid_keys()

valid_observables()

espressomd.detail.walberla.get_slice_bounding_box(slices, grid_size)

Module contents