qrunch.chemistry.ground_state_problem.calculators.tools.excitations.excitation_gate_pool

Generate a gate pool from particle-hole excitations for VQE.

Classes

Class defining the excitation gate pool.

class ExcitationGatePool

Bases: ExcitationGatePoolProtocol

Class defining the excitation gate pool.

__init__(excitations: Excitations, initial_gate_pool_ranker: ExcitationGatePoolRankerProtocol | None = None) → None

Initialize the ExcitationGatePool.

The gate pool will contain excitation gate pool operators corresponding to the provided excitations.

Parameters:

excitations (Excitations) – Excitations to use in the creation of the gate pool.
initial_gate_pool_ranker (ExcitationGatePoolRankerProtocol | None) – Object that can make an initial ranker of gates in gate pool.

Return type:

None

calculate_initial_gate_pool_ranking(top_k: int) → InitialGatePoolRanking | None

Return the initial ranking of the gate pool operators based on the provided ranker, or None.

excitations() → Excitations

Return the excitations.

Return the electron configuration parameters for the combined Rust pipeline.

supports_fast_index_generation() → bool

Check if fast Rust-based index generation is supported for this gate pool.