ipie.estimators package

Submodules

ipie.estimators.back_propagation module

ipie.estimators.handler module

ipie.estimators.itcf module

ipie.estimators.mixed module

ipie.estimators.utils module

class ipie.estimators.utils.H5EstimatorHelper(filename, base, chunk_size=1, shape=(1,))

Bases: object

Helper class for pushing data to hdf5 dataset of fixed length.

Parameters:

• h5f (h5py.File) – Output file object.

• name (string) – Dataset name.

• shape (tuple) – Shape of output data.

• dtype (type) – Output data type.

store

Dataset object.

Type:

h5py.File.DataSet

index

Counter for incrementing data.

Type:

int

increment()

push(data, name)

Push data to dataset.

Parameters:

data (numpy.ndarray) – Data to push.

push_to_chunk(data, name)

Push data to dataset.

Parameters:

data (numpy.ndarray) – Data to push.

reset()

ipie.estimators.utils.gab_mod(A, B)

One-particle Green’s function.

This actually returns 1-G since it’s more useful, i.e.,

\[\langle \phi_A|c_i^{\dagger}c_j|\phi_B\rangle = [B(A^{\dagger}B)^{-1}A^{\dagger}]_{ji}\]

where \(A,B\) are the matrices representing the Slater determinants \(|\psi_{A,B}\rangle\).

For example, usually A would represent (an element of) the trial wavefunction.

Warning

Assumes A and B are not orthogonal.

Parameters:

• A (numpy.ndarray) – Matrix representation of the bra used to construct G.

• B (numpy.ndarray) – Matrix representation of the ket used to construct G.

Returns:

GAB – (One minus) the green’s function.

Return type:

numpy.ndarray

ipie.estimators.utils.gab_spin(A, B, na, nb)

Module contents