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Small fixes for ILC #346

Merged
merged 6 commits into from
Oct 12, 2023
Merged

Small fixes for ILC #346

merged 6 commits into from
Oct 12, 2023

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JamesB-1qbit
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There were a few sign errors/ operator order errors that caused the ILC parameters generated from the get_ilc_params_by_diag to not match the energy when placed in circuit form.

@JamesB-1qbit JamesB-1qbit changed the base branch from main to develop October 12, 2023 18:47
ValentinS4t1qbit
ValentinS4t1qbit requested changes Oct 12, 2023
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@ValentinS4t1qbit ValentinS4t1qbit left a comment

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Very minor stuff :)

tangelo/toolboxes/ansatz_generator/_qubit_ilc.py Show resolved Hide resolved
tangelo/algorithms/variational/iqcc_ilc_solver.py Outdated Show resolved Hide resolved
tangelo/toolboxes/ansatz_generator/_qubit_ilc.py Outdated Show resolved Hide resolved
@ValentinS4t1qbit ValentinS4t1qbit merged commit f29aa3e into sandbox-quantum:develop Oct 12, 2023
ValentinS4t1qbit added a commit that referenced this pull request Oct 18, 2023
@github-actions @ValentinS4t1qbit
@alexfleury-sb @JamesB-1qbit @ccoulombe
New release v0.4.1 into main (#349)
bfd03a2 
* Fixed requirements (#324)
* Remove pre-install reqs (wheel)
* Remove openfermionpyscf as not needed anymore
* Us extra_requires for pyscf optional dependencies.

* Fix combinatorial mapping when spin!=0. (#330)

* QPESolver implementation (#332)

* fix qiskit-aer installation
* Initial QPE framework: vanilla QPE with built-in or user-defined unitary

* Fixes to MIFNOHelper after QEMIST Cloud 0.6.0 release (#331)

* Adding more python versions to tests (#333)

* Bug Fix: n_shots parameter was ignored in get_expectation_value (#337)
* add missed condition in get_expectation_value, added test relying on std_dev

* convert all gate names to upper case and check that it is a string (#340)

* Fixes for new version of qiskit runtime. Tangelo now supports sampler with several circuits (#341)

* Function that returns the qubits used for Truncated Taylor Series (#339)
* added function that returns the qubits used for truncated taylor series

* Support for following VQE minimization in VQESolver (#342)
* HiddenPrints with verbose option. Option to save energies at each opt steps.

* Readme update: more straight to the point. (#343)

* Classical solver uses mo_coeff from SecondQuantizedMolecule (#338)
* small fix for assigning mo_coeff to classical solver
* CCSDSolver and FCISolver use SecondQuantizedMolecule mo_coeff for both psi4 and pyscf
* moved imports to top of file

* Simplify method for circuits (#345)
* convenience functions to merge compatible rotations and umbrella simplify function to combine simplification primitives and run passes on a circuit recursively

* QM/MM support with electrostatic embedding (#336)
* QMMM with psi4 and pyscf
* corner case to handle psi4 v1.6 
* support for rdkit
* improved support for multiple pdb files
* Added MMChargesSolver class, IntegralSolver can be chosen

* Small fixes for ILC (#346)
* added functions that implement exact expansion/ parameters for ILC iteration
* small fixes so that the circuit generated from the ilc eigenvalue problem has the same energy

* QM/MM: charges solvers made consistent with users choices. (#347)
* Removed QubitHamiltonian use in QITESolver.
* Performance upgrade to combinatorial mapping (#348)
* Update to combinatorial, using recursive version instead of initial naive one with qubit operators. Further work has started to improve performance and reduce memory consumption


Co-authored-by: Valentin Senicourt <41597680+ValentinS4t1qbit@users.noreply.github.com>
Co-authored-by: AlexandreF-1qbit <76115575+AlexandreF-1qbit@users.noreply.github.com>
Co-authored-by: James Brown <84878946+JamesB-1qbit@users.noreply.github.com>
Co-authored-by: Charles Coulombe <ccoulombe@users.noreply.github.com>
cburdine pushed a commit to cburdine/Tangelo that referenced this pull request May 31, 2024
@github-actions @ValentinS4t1qbit
@alexfleury-sb @JamesB-1qbit @ccoulombe @cburdine
New release v0.4.1 into main (sandbox-quantum#349)
ea1837d 
* Fixed requirements (sandbox-quantum#324)
* Remove pre-install reqs (wheel)
* Remove openfermionpyscf as not needed anymore
* Us extra_requires for pyscf optional dependencies.

* Fix combinatorial mapping when spin!=0. (sandbox-quantum#330)

* QPESolver implementation (sandbox-quantum#332)

* fix qiskit-aer installation
* Initial QPE framework: vanilla QPE with built-in or user-defined unitary

* Fixes to MIFNOHelper after QEMIST Cloud 0.6.0 release (sandbox-quantum#331)

* Adding more python versions to tests (sandbox-quantum#333)

* Bug Fix: n_shots parameter was ignored in get_expectation_value (sandbox-quantum#337)
* add missed condition in get_expectation_value, added test relying on std_dev

* convert all gate names to upper case and check that it is a string (sandbox-quantum#340)

* Fixes for new version of qiskit runtime. Tangelo now supports sampler with several circuits (sandbox-quantum#341)

* Function that returns the qubits used for Truncated Taylor Series (sandbox-quantum#339)
* added function that returns the qubits used for truncated taylor series

* Support for following VQE minimization in VQESolver (sandbox-quantum#342)
* HiddenPrints with verbose option. Option to save energies at each opt steps.

* Readme update: more straight to the point. (sandbox-quantum#343)

* Classical solver uses mo_coeff from SecondQuantizedMolecule (sandbox-quantum#338)
* small fix for assigning mo_coeff to classical solver
* CCSDSolver and FCISolver use SecondQuantizedMolecule mo_coeff for both psi4 and pyscf
* moved imports to top of file

* Simplify method for circuits (sandbox-quantum#345)
* convenience functions to merge compatible rotations and umbrella simplify function to combine simplification primitives and run passes on a circuit recursively

* QM/MM support with electrostatic embedding (sandbox-quantum#336)
* QMMM with psi4 and pyscf
* corner case to handle psi4 v1.6 
* support for rdkit
* improved support for multiple pdb files
* Added MMChargesSolver class, IntegralSolver can be chosen

* Small fixes for ILC (sandbox-quantum#346)
* added functions that implement exact expansion/ parameters for ILC iteration
* small fixes so that the circuit generated from the ilc eigenvalue problem has the same energy

* QM/MM: charges solvers made consistent with users choices. (sandbox-quantum#347)
* Removed QubitHamiltonian use in QITESolver.
* Performance upgrade to combinatorial mapping (sandbox-quantum#348)
* Update to combinatorial, using recursive version instead of initial naive one with qubit operators. Further work has started to improve performance and reduce memory consumption


Co-authored-by: Valentin Senicourt <41597680+ValentinS4t1qbit@users.noreply.github.com>
Co-authored-by: AlexandreF-1qbit <76115575+AlexandreF-1qbit@users.noreply.github.com>
Co-authored-by: James Brown <84878946+JamesB-1qbit@users.noreply.github.com>
Co-authored-by: Charles Coulombe <ccoulombe@users.noreply.github.com>
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@alexfleury-sb alexfleury-sb alexfleury-sb approved these changes

@ValentinS4t1qbit ValentinS4t1qbit ValentinS4t1qbit approved these changes

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@JamesB-1qbit @ValentinS4t1qbit @alexfleury-sb