replicate¶

mdhelper.algorithm.utility.replicate(cell_dims: ndarray[float], cell_pos: ndarray[float], n_cells: ndarray[int]) → ndarray[float][source]¶

Replicate point(s) in an unit cell along the \(x\)-, \(y\)-, and \(z\)-directions.

Parameters:

cell_dimsnumpy.ndarray

Dimensions of the unit cell.

Shape: \((3,)\).

cell_posnumpy.ndarray

Positions of the \(N\) points inside the unit cell.

Shape: \((N,\,3)\).

n_cellsnumpy.ndarray

Number of times to replicate the unit cell in each direction.

Shape: \((3,)\).

Returns: