CellList

class hoomd.mpcd.collide.CellList(shift=True)

Bases: Compute

Collision cell list.

Parameters:

shift (bool) – When True, randomly shift underlying collision cells.

The MPCD CellList bins particles into cells aligned with the lattice vectors that define the simulation box. The default number of cells along each lattice vector is computed from \(L_x\), \(L_y\), and \(L_z\) with a length of 1.0.

When the total mean-free path of the MPCD particles is small, the cells should be randomly shifted in order to ensure Galilean invariance of the algorithm. This random shift is drawn from a uniform distribution, and it can shift the grid by up to half a cell in each direction. The performance penalty from grid shifting is small, so it is recommended to enable it in all simulations.

Example:

Access default cell list from integrator.

cell_list = simulation.operations.integrator.cell_list

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Members inherited from AutotunedObject:

property kernel_parameters

Kernel parameters. Read more...

property is_tuning_complete

Check if kernel parameter tuning is complete. Read more...

tune_kernel_parameters()

Start tuning kernel parameters. Read more...

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Members defined in CellList:

shift

When True, randomly shift underlying collision cells.

Example:

cell_list.shift = True

Type:

bool

property num_cells

Number of cells along each lattice vector.

Type:

tuple[int]