qimpy.algorithms

Shared algorithms for optimization and self-consistency.

Classes

Gradable	Interface to store gradient w.r.t current object, analogous to pytorch.
Optimizable	Class requirements for use as vector space in optimization algorithms.
ConvergenceCheck	Check quantity stays unchanged a certain number of times.
MatrixArray	Array of matrices implementing the Optimizable protocol.
MinimizeState	Current energies and gradients of Minimize algorithm.
Minimize	Abstract base class implementing large-scale minimization algorithms.
Pulay	Abstract base class implementing the Pulay mixing algorithm.