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compute_rdms function #228

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merged 9 commits into from
Nov 9, 2022

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KrzysztofB-1qbit
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@KrzysztofB-1qbit KrzysztofB-1qbit commented Oct 6, 2022

First draft of compute_rdms. Main changes:

  • Added the function, can take classical shadow, Pauli expectation values, or raw data in the form {basis: histogram}
  • Added tests for raw data and classical shadow inputs, including a raw data file
  • Added n_spinorbitals, n_electrons, spin to FermionOperator class
  • Added filter_bases helper function

@KrzysztofB-1qbit KrzysztofB-1qbit changed the title First draft of compute_rdms compute_rdms function Oct 7, 2022
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Some trivial things to fix. Some comments are more general feelings we could discuss in group.

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Tough PR if you're not familiar with object-oriented programming but excellent learning experience: don't give up !

Do not hesitate to reach out if you have any question, it is easier to explain orally.

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There are some conversations we may need a talk to solve as I am not clear on why things were implemented the way they currently are.

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Great job ! That was a lot of work, and I hope you've learnt a bunch in the process.

@ValentinS4t1qbit ValentinS4t1qbit merged commit 6cfca0d into sandbox-quantum:develop Nov 9, 2022
ValentinS4t1qbit added a commit that referenced this pull request Nov 9, 2022
* Formula for estimating n_measurements for exp value to given accuracy updated with simpler form. (#192)
* Fix operator_expectation bug qith qubit operator / hamiltonian. (#191)
* iqcc ilc solver fork (#179)
* Make circuit iterable (#194)
* copy method for circuits + get_resources adjusted for some variations of VQE + invertible swap gate fix (#193)
* Release guide for project maintainers + version string (#195)
* Notebook: Important aspects of QChem modelling for QComputing (#199)
* Notebooks enabled for Google colab ("No local install" needed) (#198)
* Docker fix (#200)
* Excited states (#197)
* Translation function for qubit operators (#196)
* c2v axis definition changed (#205)
* Bidirectional conversion for Qiskit quantum circuits (#203)
* QEMISTClientConnection class (#207)
* Add n_qubits option to MultiformOperator compress function (#209)
* Quantum Signal Processing time-evolution (#204)
* added even trotter order > 2 (#210)
* Fixed number of qubits with scBK in ADAPT. (#214)
* Export coverage output file in github actions (#158)
* JKMN vector prep should return np array of int. (#215)
* Support for additional IonQ gates (#212)
* Remove unused n_min_orbitals attribute. (#218)
* Change JKMN Majorana definition so mapped Hamiltonian is real (#219)
* Relaxing condition fot iQCC-ILC test. (#221)
* Histogram class (#217)
* Compute energy from RDMs with FermionOperator (#220)
* IonQConnection: control update prints / verbosity. (#225)
* Refactor simulator (#213)
* added __repr__ method to Gate (#229)
* New bidirectional circuit translation functions and interface (#223)
* Add circuit.depth() in get_resources methods (#235)
* Variance and standard error of an expectation value (#238)
* VQESolver cleanup (#230)
* TETRIS-ADAPT-VQE (#241)
* TETRISADAPTSolver implementation + #224 fix
* Trotter order and active electrons for (i)QCC (#234)
* Symmetry post-selection (#232)
* Qiskit runtime integration (IBM quantum only) (#222)
* Add multi-control support for trotterization (#244)
* Compatibility with new QCloud outputs. (#246)
* Deprecate Simulator, introduce get_backend as replacement (#245)
* compute_rdms function (#228)
* Expanded FermionOperator attributes, defined logical and mathematical operations on it (add, mul, eq, etc)
* Bumping Tangelo version number in _version.py
* Update CHANGELOG.md

Co-authored-by: Valentin Senicourt <[email protected]>
Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
Co-authored-by: AlexandreF-1qbit <[email protected]>
Co-authored-by: James Brown <[email protected]>
Co-authored-by: JamesB-1qbit <[email protected]>
Co-authored-by: MPCoons <[email protected]>
Co-authored-by: elloyd-1qbit <[email protected]>
Co-authored-by: KrzysztofB-1qbit <[email protected]>
Co-authored-by: Rudi Plesch <[email protected]>
Co-authored-by: GitHub Actions <[email protected]>
Co-authored-by: Valentin Senicourt <[email protected]>
Co-authored-by: Joshua Goings <[email protected]>
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4 participants