qimpy.algorithms.MatrixArray

class MatrixArray(M, comm)

Bases: object

Array of matrices implementing the Optimizable protocol. This is convenient as an independent variable for optimizing over subspace rotations, such as in LCAO and Wannier.

Parameters:

• M (Tensor) –

• comm (Comm) –

__init__(M, comm)

Parameters:

• M (Tensor) –

• comm (Comm) –

Return type:

None

Methods

__init__
vdot	Global vector-space dot product collected over comm.

Attributes

M	Array of matrices with dimension ..., N x N
comm	Communicator where M is split on some dimension(s)

vdot(other)

Global vector-space dot product collected over comm.

Parameters:

other (MatrixArray) –

Return type:

float

M: Tensor

Array of matrices with dimension …, N x N

comm: Comm

Communicator where M is split on some dimension(s)