API Reference

The API reference is grouped by package boundary. Start with the package-level exports, then use the module pages for implementation-specific entry points.

• Package API
• Core API
• Interfaces API
• Solvation API
• Sampling API
• Profiling API
• Utilities API

Package Groups

Page	Scope
Package API	Top-level exports, constants, and molecule configuration.
Core API	QPE, QM/MM orchestration, RDM, resource estimation, and device utilities.
Interfaces API	PySCF/PennyLane conversion and density matrix bridge.
Solvation API	MC solvation workflow, Catalyst circuit bundles, IR cache, and analysis.
Sampling API	Classical MC moves, water geometry, force-field helpers, and Metropolis sampling.
Profiling API	Memory, timing, Catalyst IR, and QPE compilation profiling.
Utilities API	I/O and plotting helpers.