integrate_gradient_fourier

integrate_gradient_fourier#

abtem.potentials.charge_density.integrate_gradient_fourier(array, cell, in_space='real', out_space='real')[source]#

Integrate an array representation of a gradient in 3D using Fourier-space integration.

Parameters:
  • array (np.ndarray) – Array representing a gradient of dimension 3.

  • cell (ase.cell.Cell) – ASE Cell object defining the region of space where the gradient is integrated.

  • in_space (str) – Space in which the gradient is defined (either “real” or “fourier”).

  • out_space (str) – Space in which the integrated gradient is defined (“real” or “fourier”).

Returns:

integrated – Integrated gradient.

Return type:

np.ndarray