DummyFrozenPhonons#

class abtem.inelastic.phonons.DummyFrozenPhonons(atoms, num_configs=None)[source]#

Bases: BaseFrozenPhonons

Class to allow all potentials to be treated in the same way.

__init__(atoms, num_configs=None)[source]#

Methods

__init__(atoms[, num_configs])

copy()

Make a copy.

ensemble_blocks([chunks])

Split the ensemble into an array of smaller ensembles.

generate_blocks([chunks])

Generate chunks of the ensemble.

randomize(atoms)

Randomize the atoms.

select_block(index, chunks)

Select a block from the ensemble.

Attributes

atomic_numbers

The unique atomic number of the atoms.

atoms

Base atomic configuration used for displacements.

axes_metadata

List of AxisMetadata.

base_axes_metadata

List of AxisMetadata of the base axes.

base_shape

Shape of the base axes.

cell

The cell of the atoms.

ensemble_axes_metadata

List of AxisMetadata of the ensemble axes.

ensemble_mean

The mean of the ensemble of results from a multislice simulation is calculated.

ensemble_shape

Shape of the ensemble axes.

num_configs

Number of atomic configurations.

shape

Shape of the ensemble.

property atomic_numbers: ndarray#

The unique atomic number of the atoms.

property atoms#

Base atomic configuration used for displacements.

property axes_metadata: AxesMetadataList#

List of AxisMetadata.

property base_axes_metadata: list[AxisMetadata]#

List of AxisMetadata of the base axes.

property base_shape: tuple[int, ...]#

Shape of the base axes.

property cell: Cell#

The cell of the atoms.

copy()#

Make a copy.

property ensemble_axes_metadata: list[AxisMetadata]#

List of AxisMetadata of the ensemble axes.

ensemble_blocks(chunks=None)#

Split the ensemble into an array of smaller ensembles.

Parameters:

chunks (iterable of tuples) – Block sizes along each dimension.

Return type:

Array

property ensemble_mean#

The mean of the ensemble of results from a multislice simulation is calculated.

property ensemble_shape#

Shape of the ensemble axes.

generate_blocks(chunks=1)#

Generate chunks of the ensemble.

Parameters:

chunks (iterable of tuples) – Block sizes along each dimension.

property num_configs#

Number of atomic configurations.

randomize(atoms)[source]#

Randomize the atoms.

Parameters:

atoms (Atoms) –

Return type:

Atoms

select_block(index, chunks)#

Select a block from the ensemble.

Parameters:
  • index (tuple of ints) – Index of selected block.

  • chunks (iterable of tuples) – Block sizes along each dimension.

property shape#

Shape of the ensemble.