GaussianScatteringFactors#
- class abtem.integrals.GaussianScatteringFactors(gaussian_scattering_factors, error_function_scales, correction_scattering_factors)[source]#
Bases:
FieldIntegrator
- __init__(gaussian_scattering_factors, error_function_scales, correction_scattering_factors)[source]#
Methods
__init__
(gaussian_scattering_factors, ...)copy
()Make a copy.
cutoff
(symbol)Radial cutoff of the potential for the given chemical symbol.
integrate_on_grid
(positions, a, b, gpts, ...)Integrate radial potential between two limits at the given 2D positions on a grid.
Attributes
True indicates that the created projection integrators are implemented only for infinite potential projections.
True indicates that the created projection integrators are implemented only for periodic potentials.
- copy()#
Make a copy.
- abstract cutoff(symbol)#
Radial cutoff of the potential for the given chemical symbol.
- Return type:
float
- property finite: bool#
True indicates that the created projection integrators are implemented only for infinite potential projections.
- integrate_on_grid(positions, a, b, gpts, sampling, device='cpu', fourier_space=False)[source]#
Integrate radial potential between two limits at the given 2D positions on a grid. The integration limits are only used when the integration method is finite.
- Parameters:
positions (np.ndarray) – 2D array of xy-positions of the centers of each radial function [Å].
a (np.ndarray) – Lower integration limit of the pr ojection integrals along z for each position [Å]. The limit is given relative to the center of the radial function.
b (np.ndarray) – Upper integration limit of the projection integrals along z for each position [Å]. The limit is given relative to the center of the radial function.
gpts (two int) – Number of grid points in x and y describing each slice of the potential.
sampling (two float) – Sampling of the potential in x and y [1 / Å].
device (str, optional) – The device used for calculating the potential, ‘cpu’ or ‘gpu’. The default is determined by the user configuration file.
- Return type:
ndarray
- property periodic: bool#
True indicates that the created projection integrators are implemented only for periodic potentials.