qdk_chemistry.algorithms.hashing module

Hashing utilities for algorithm run content hashing.

qdk_chemistry.algorithms.hashing.run_content_hash(algorithm_type, algorithm_name, settings, *args, **kwargs)[source]

Compute a deterministic content hash for an algorithm run.

This function has the same logical signature as Algorithm.run() but returns a hex hash string instead of executing the algorithm. Identical inputs produce identical hashes.

Return type:

str

Parameters:

  • algorithm_type (str) – The algorithm type name (e.g., “scf_solver”).

  • algorithm_name (str) – The algorithm name (e.g., “pyscf”).

  • settings (Settings) – The Settings object for the algorithm.

  • args – Positional arguments that would be passed to run().

  • kwargs – Keyword arguments that would be passed to run().

Returns:

A 16-character hex string content hash.

Return type:

str

Examples

>>> from qdk_chemistry.algorithms.hashing import run_content_hash
>>> hash_val = run_content_hash(
...     "scf_solver", "pyscf", scf.settings(),
...     structure, charge=0, spin_multiplicity=1,
... )