Documentation (opens in a new tab)
mandacaru.readthedocs.io
Installation, tutorials, how-to guides, the VQE/ADAPT-VQE theory, and the full API reference — built with Sphinx and the furo theme.
Documentation
Manuals & guides
The Sphinx documentation is the reference: tutorials walk a solver end to end, how-to guides cover individual tasks, and the theory pages write down the maths behind VQE and ADAPT-VQE. Everything below links straight to it, or to the runnable examples on GitHub.
Resources
Tutorials (opens in a new tab)
3 walkthroughs
VQE on H₂, ADAPT-VQE on LiH, excited states, potential-energy scans and Bloch band structure, step by step.
How-to guides (opens in a new tab)
Reading a run · Basis sets · All-electron numerical atomic orbitals · Pseudopotentials · Open-shell systems · Interaction energies on a shared grid · Dry run · Caching the Hamiltonian · Backend Providers · Running on Amazon Braket · Dynamic Parametrisation · Wavefunction checkpoints and quantum phase estimation
Task-oriented guides for the pieces that don't fit a tutorial: choosing a basis, estimating the qubit budget, reading the Hamiltonian cache, reaching real hardware.
Examples (opens in a new tab)
27 scripts
Runnable end-to-end scripts on GitHub — every algorithm, backend and basis family has at least one, with its own output committed alongside it.
API reference (opens in a new tab)
autodoc + napoleon
Every public class and function, generated from the source's own NumPy-style docstrings.
Source on GitHub (opens in a new tab)
seixas-research/mandacaru
The full source, the issue tracker, and the 1358-test suite that runs against every change.
Something wrong?
Bugs, wrong energies and backend mismatches all belong in the issue tracker. Include the script, the basis, mapping and backend you ran with, and the version banner printed at the start of the run — that is the fastest way to reproduce anything.
Open an issue (opens in a new tab)