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Update and misc. edits to documentation
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chmwzc committed Aug 11, 2024
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6 changes: 5 additions & 1 deletion README.md
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Expand Up @@ -53,7 +53,11 @@ If you use the Qibochem plugin please refer to the documentation for citation in

## Contact

For questions, comments and suggestions please contact us at [https://matrix.to/#/#qibo:matrix.org](url)
To get in touch with the community and the developers, consider joining the Qibo workspace on Matrix:

[![Matrix](https://img.shields.io/matrix/qibo%3Amatrix.org?logo=matrix)](https://matrix.to/#/#qibo:matrix.org)

If you have a question about the project, contact us at [📫](mailto:[email protected]).

## Contributing

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12 changes: 12 additions & 0 deletions doc/source/api-reference/ansatz.rst
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Expand Up @@ -27,3 +27,15 @@ Basis rotation
--------------

.. autofunction:: qibochem.ansatz.basis_rotation.basis_rotation_gates

Givens Excitation
-----------------

.. autofunction:: qibochem.ansatz.givens_excitation.givens_excitation_circuit

.. autofunction:: qibochem.ansatz.givens_excitation.givens_excitation_ansatz

Symmetry-Preserving
-------------------

.. autofunction:: qibochem.ansatz.symmetry.symm_preserving_circuit
40 changes: 19 additions & 21 deletions doc/source/appendix/citing-qibochem.rst
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@@ -1,22 +1,20 @@
Publications
============

If Qibochem has been significant in your research, and you would like to acknowledge
the project in your academic publication, we suggest citing the following documents:

Software References in Zenodo
-----------------------------

Wong Zicheng, Adrian Mak, Tan Le, Stefano Carrazza, Alessandro Candido, & Ye Jun. (2024). qiboteam/qibochem: Qibochem 0.0.1 (v0.0.1). Zenodo. https://doi.org/10.5281/zenodo.10473173

Authorship Guideline
--------------------

In order to appear as an author of a Qibochem publication (paper, proceedings, etc)
each author must fullfil the following requirements:

* Participate to the official meetings.

* Contribute to the code with documented commits.

Publications
============

If Qibochem has been significant in your research, and you would like to acknowledge the project in your academic publication, we suggest citing the following reference:

Software References in Zenodo
-----------------------------

Wong Zi Cheng, Adrian Matthew Mak, Tan Le, Stefano Carrazza, Alessandro Candido & Ye Jun. (2024). qiboteam/qibochem: Qibochem 0.0.1 (v0.0.1). Zenodo. https://doi.org/10.5281/zenodo.10473173

Authorship Guideline
--------------------

In order to appear as an author of a Qibochem publication (paper, proceedings, etc), one must fullfil the following requirements:

* Participate to the official meetings.

* Contribute to the code with documented commits.

* Contribute to the manuscript elaboration.
9 changes: 4 additions & 5 deletions src/qibochem/ansatz/givens_excitation.py
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Expand Up @@ -56,17 +56,16 @@ def double_excitation_gate(sorted_orbitals, theta):
# Main function
def givens_excitation_circuit(n_qubits, excitation, theta=None):
"""
Circuit ansatz for one Givens rotation excitation from Arrazola et al. Reference:
https://doi.org/10.22331/q-2022-06-20-742
Circuit ansatz corresponding to the Givens rotation excitation from Arrazola et al. (https://doi.org/10.22331/q-2022-06-20-742) for a single excitation.
Args:
n_qubits: Number of qubits in the quantum circuit
n_qubits: Number of qubits in the circuit
excitation: Iterable of orbitals involved in the excitation; must have an even number of elements
E.g. ``[0, 1, 2, 3]`` represents the excitation of electrons in orbitals ``(0, 1)`` to ``(2, 3)``
theta (float): Rotation angle. Default: 0.0
Returns:
Qibo ``Circuit``: Circuit ansatz
Qibo ``Circuit``: Circuit ansatz for a single Givens excitation
"""
sorted_orbitals = sorted(excitation)
# Check size of orbitals input
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use the MP2 amplitudes as the default guess parameters
Returns:
Qibo ``Circuit``: Circuit corresponding to the 'Universal' ansatz
Qibo ``Circuit``: Circuit corresponding to a Givens excitation circuit ansatz
"""
# TODO: Consolidate/Meld this function with the ucc_ansatz function; both are largely identical

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4 changes: 2 additions & 2 deletions src/qibochem/ansatz/symmetry.py
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Expand Up @@ -85,14 +85,14 @@ def a_gate_indices(n_qubits, n_electrons, x_gates):
# Main function
def symm_preserving_circuit(n_qubits, n_electrons):
"""
Symmetry-preserving circuit ansatz from Gard et al. Reference: https://doi.org/10.1038/s41534-019-0240-1
Symmetry-preserving circuit ansatz from Gard et al. (https://doi.org/10.1038/s41534-019-0240-1)
Args:
n_qubits: Number of qubits in the quantum circuit
n_electrons: Number of electrons in the molecular system
Returns:
Qibo ``Circuit``: Circuit ansatz
Qibo ``Circuit``: Circuit corresponding to the symmetry-preserving ansatz
"""
circuit = Circuit(n_qubits)
x_gates = x_gate_indices(n_qubits, n_electrons)
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