Staged richardson #99
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
KrzysztofB-1qbit
requested review from
alexfleury-sb,
JamesB-1qbit and
ValentinS4t1qbit
as code owners
alexfleury-sb
requested changes
Dec 17, 2021
…son code to separate function. Implemented explicit Richardson solution. Added the Richardson with exponent estimation.
There was a problem hiding this comment.
A good first PR: my feedback is mostly a collection of small things.
Advice: your code is very monolithic. Sometimes 30 lines of uninterrupted loops etc with no lines skipped and no comments. Consider skipping a line or adding a comment once in a while (think of yourself as someone who may read or attempt to modify this code in 1 week or 1 year, who may not be the author: what would be helpful?)
ValentinS4t1qbit
requested changes
Jan 18, 2022
alexfleury-sb
requested changes
Jan 19, 2022
ValentinS4t1qbit
approved these changes
Jan 19, 2022
alexfleury-sb
approved these changes
Jan 20, 2022
ValentinS4t1qbit
added a commit
that referenced
this pull request
Feb 15, 2022
* Sphinx docs (#76) * Fixing CCSDSolver.get_rdm() with frozen orbitals and energy from RDMs (#81) * small fixes to allow initial density matrix for faster noisy sampling with cirq (#84) * Branding (Tangelo, Good Chemistry Company) (#87) * Name change: backendbuddy -> linq (#93) * added multi-controls multi-targets, extra gates (#88) * Add QMF and QCC capabilities and tests (#91) * JKMN mapping implementation (#95) * added inverse function to Circuit (#78) * added pycodestyle tests (#96) * Circuit methods (repetition operator, equality, trim and split methods) (#101) * Staged controlled time (#100) * Support for name attribute in Circuit class (#110) * Derandomized + Adaptive Classical Shadows (#111) * added vsqs ansatz (#109) * Staged richardson (#99) * Majorana pool for ADAPT (#114) * Copy gate data instead of referencing it when instantiation Circuit object (#118) * Fixed QEMIST Cloud QPU connection ctrl-c in job_result. (#121) * Estimate QPU cost with QEMIST Cloud API. (#120) * Improvements for handling exp data with ClassicalShadow (#124) * Qulacs operator build changed to fix memory leak (#122) Co-authored-by: ValentinS4t1qbit <[email protected]> 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]>
ValentinS4t1qbit
added a commit
that referenced
this pull request
Feb 16, 2022
* v0.3.0 into main (#127) * Sphinx docs (#76) * Fixing CCSDSolver.get_rdm() with frozen orbitals and energy from RDMs (#81) * small fixes to allow initial density matrix for faster noisy sampling with cirq (#84) * Branding (Tangelo, Good Chemistry Company) (#87) * Name change: backendbuddy -> linq (#93) * added multi-controls multi-targets, extra gates (#88) * Add QMF and QCC capabilities and tests (#91) * JKMN mapping implementation (#95) * added inverse function to Circuit (#78) * added pycodestyle tests (#96) * Circuit methods (repetition operator, equality, trim and split methods) (#101) * Staged controlled time (#100) * Support for name attribute in Circuit class (#110) * Derandomized + Adaptive Classical Shadows (#111) * added vsqs ansatz (#109) * Staged richardson (#99) * Majorana pool for ADAPT (#114) * Copy gate data instead of referencing it when instantiation Circuit object (#118) * Fixed QEMIST Cloud QPU connection ctrl-c in job_result. (#121) * Estimate QPU cost with QEMIST Cloud API. (#120) * Improvements for handling exp data with ClassicalShadow (#124) * Qulacs operator build changed to fix memory leak (#122) Co-authored-by: ValentinS4t1qbit <[email protected]> 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]>
ValentinS4t1qbit
added a commit
that referenced
this pull request
Jun 16, 2022
* Bump develop to v0.3.0 (#127) (#128) * v0.3.0 into main (#127) * Sphinx docs (#76) * Fixing CCSDSolver.get_rdm() with frozen orbitals and energy from RDMs (#81) * small fixes to allow initial density matrix for faster noisy sampling with cirq (#84) * Branding (Tangelo, Good Chemistry Company) (#87) * Name change: backendbuddy -> linq (#93) * added multi-controls multi-targets, extra gates (#88) * Add QMF and QCC capabilities and tests (#91) * JKMN mapping implementation (#95) * added inverse function to Circuit (#78) * added pycodestyle tests (#96) * Circuit methods (repetition operator, equality, trim and split methods) (#101) * Staged controlled time (#100) * Support for name attribute in Circuit class (#110) * Derandomized + Adaptive Classical Shadows (#111) * added vsqs ansatz (#109) * Staged richardson (#99) * Majorana pool for ADAPT (#114) * Copy gate data instead of referencing it when instantiation Circuit object (#118) * Fixed QEMIST Cloud QPU connection ctrl-c in job_result. (#121) * Estimate QPU cost with QEMIST Cloud API. (#120) * Improvements for handling exp data with ClassicalShadow (#124) * Qulacs operator build changed to fix memory leak (#122) Co-authored-by: ValentinS4t1qbit <[email protected]> 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]> * Recomputing MF when working with atom indices in DMET (#130) * Recomputing and testing MF when working with atom indexes. Change Localization import level. * More gates for openqasm translator (#129) * Added CZ, CY, CRz, CP, CSWAP and SWAP to openqasm translator * fixed return for return_phase=False in trotterize (#133) * fixed return for return_phase=False in trotterize * ONIOM problem reformulation (#119) * Updated ONIOM notebook use case * QubitHamiltonian get_operators bug (#131) * Fixed get_operators bug + added a test. * Measurement map (#134) * Measurement map + extending qwc partioning with repetition * Working state, cleaning is wip. * Givens gate (#135) * added givens gate decomposition Co-authored-by: ValentinS4t1qbit <[email protected]> * Notebook classical shadow (#123) Classical shadows notebook. It has been added to tests as well Co-authored-by: ValentinS4t1qbit <[email protected]> * added class to prepare or decompute an arbitrary statevector (#137) * Many small todos (#138) * Add an explanation how Circuit.reindex_qubits method is working. * ClassicalShadows.simulate only unique circuit (massive speedup). * Better management of backend options in VQESolver. * CS notebook update. * Comment fix for new return. * No need of n_electrons with ref_state==zero. * Change method for simulate (noisy?). * Diag coulomb (#136) * diagonalizing circuits implemented and tested * improvements to jkmn leaf->majorana selection (#139) * improvements to jkmn leaf->majorana selection * Use of get_vector function. * Change constructors -> classmethod. * Change interface + working state. * Stage where I have to write tests. * Test for HybridOperator and Z2 tapering. * Conformance tests + typos. * Moved file + typos. * Added tests for matrix manip. * Full path of load_operator in tests. * Permit all active orbitals partially occupied (#146) * ONIOM capping with chemical groups (#141) * Implementation for other chemical groups capping in ONIOM. Tests, docs. * uccgd ansatz (#144) * uccgd ansatz for use in SA-OO-VQE * First round + added spin=\=0 fix. * Support for symmetry, now call pyscf directly (#147) * call pyscf directly, symmetry now supported * Rotosolve implementation as an optimizer for parameterized circuits (#142) * rotosolve implementation and tests * ONIOM multisolvers (#143) * Multisolver support in ONIOM * Added others solvers to ONIOM, added tests and ROHF support (RHF->HF). * sa_vqe_solver from sa-oo-vqe branch * added import to __init__ * fixes for PR * clearer documentation * change statevector jkmn * replaced jkmn_prep_circuit with jkmn_prep_vector * Fixed error message. * Some reviews. * JKMN z2 tapering tests. * Docstrings in tests. * Speed improvement + bitwise operations + moved collapse function. * Passing conformance tests. * added state averaged orbital optimized files * merged molecule symmetry changes * Update test_hybridoperator.py aligning. * Hybrid -> Multiform. * Small fixes. * PR changes * support for reading in xyz files (#151) * support for reading in xyz files * Update z2_tapering.py * Update sa_oo_vqe_solver.py * Ilc ansatz (#132) * Add ILC ansatz class * updates to qmf, qcc, and ilc ansatz classes * enable QMF and ILC classes to read-in and process data from OpenFermion *.hdf5 files and other small fixes. Co-authored-by: ValentinS4t1qbit <[email protected]> * Updating information, and adding Windows install comment (#155) * Quantum deflation (#152) * added deflation * added ref_states as circuit and to VQESolver * added ref_state and deflation to adapt vqe Co-authored-by: ValentinS4t1qbit <[email protected]> * changed default basis to crenbl in pyscf, added ecp option (#156) * changed default basis to crenbl for pyscf to retrieve number of electrons & atoms, added ecp option * Cancel redundant gates (#153) * Functions / methods to remove small rotations, and remove gates that cancel each other * Circuit depth (#159) * Depth method for Circuit class * MI-FNO link (#157) * MI-FNO helper class. Added tests + reconstruction of MI energy, support for building sermonic operators for fragments * Iqcc solver (#154) * iQCC solver, frobenius norm compression method on QubitOperator Co-authored-by: ValentinS4t1qbit <[email protected]> * MIFNO notebook (#161) * MIFNO notebook. Added to tests and sphinx docs Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: ValentinS4t1qbit <[email protected]> * Docs fix + tutorials removal from sphinx docs (#162) * Docs: requirements.txt no longer needed. Tutorials removed from generated docs (redundant with Github, issues with latex, looks better on github and will display images once repo is public Co-authored-by: AlexandreF-1qbit <[email protected]> * readme upgrade (#164) * readme upgrade and images, contributions.rst for code of conduct mention * Fixes for docs and readme, files for Pypi (#166) * Docs and readme fixed with feedback. Pypi file removed as it hinders the installation from source process: a guide will be provided to maintainer team for pypi update. Co-authored-by: AlexandreF-1qbit <[email protected]> * Version number and changelogs bumped 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]>
ValentinS4t1qbit
added a commit
that referenced
this pull request
Jun 16, 2022
* v0.3.0 into main (#127) * Sphinx docs (#76) * Fixing CCSDSolver.get_rdm() with frozen orbitals and energy from RDMs (#81) * small fixes to allow initial density matrix for faster noisy sampling with cirq (#84) * Branding (Tangelo, Good Chemistry Company) (#87) * Name change: backendbuddy -> linq (#93) * added multi-controls multi-targets, extra gates (#88) * Add QMF and QCC capabilities and tests (#91) * JKMN mapping implementation (#95) * added inverse function to Circuit (#78) * added pycodestyle tests (#96) * Circuit methods (repetition operator, equality, trim and split methods) (#101) * Staged controlled time (#100) * Support for name attribute in Circuit class (#110) * Derandomized + Adaptive Classical Shadows (#111) * added vsqs ansatz (#109) * Staged richardson (#99) * Majorana pool for ADAPT (#114) * Copy gate data instead of referencing it when instantiation Circuit object (#118) * Fixed QEMIST Cloud QPU connection ctrl-c in job_result. (#121) * Estimate QPU cost with QEMIST Cloud API. (#120) * Improvements for handling exp data with ClassicalShadow (#124) * Qulacs operator build changed to fix memory leak (#122) Co-authored-by: ValentinS4t1qbit <[email protected]> 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]> * Update _version.py * Update to release/v0.3.1 (#167) * Bump develop to v0.3.0 (#127) (#128) * v0.3.0 into main (#127) * Sphinx docs (#76) * Fixing CCSDSolver.get_rdm() with frozen orbitals and energy from RDMs (#81) * small fixes to allow initial density matrix for faster noisy sampling with cirq (#84) * Branding (Tangelo, Good Chemistry Company) (#87) * Name change: backendbuddy -> linq (#93) * added multi-controls multi-targets, extra gates (#88) * Add QMF and QCC capabilities and tests (#91) * JKMN mapping implementation (#95) * added inverse function to Circuit (#78) * added pycodestyle tests (#96) * Circuit methods (repetition operator, equality, trim and split methods) (#101) * Staged controlled time (#100) * Support for name attribute in Circuit class (#110) * Derandomized + Adaptive Classical Shadows (#111) * added vsqs ansatz (#109) * Staged richardson (#99) * Majorana pool for ADAPT (#114) * Copy gate data instead of referencing it when instantiation Circuit object (#118) * Fixed QEMIST Cloud QPU connection ctrl-c in job_result. (#121) * Estimate QPU cost with QEMIST Cloud API. (#120) * Improvements for handling exp data with ClassicalShadow (#124) * Qulacs operator build changed to fix memory leak (#122) Co-authored-by: ValentinS4t1qbit <[email protected]> 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]> * Recomputing MF when working with atom indices in DMET (#130) * Recomputing and testing MF when working with atom indexes. Change Localization import level. * More gates for openqasm translator (#129) * Added CZ, CY, CRz, CP, CSWAP and SWAP to openqasm translator * fixed return for return_phase=False in trotterize (#133) * fixed return for return_phase=False in trotterize * ONIOM problem reformulation (#119) * Updated ONIOM notebook use case * QubitHamiltonian get_operators bug (#131) * Fixed get_operators bug + added a test. * Measurement map (#134) * Measurement map + extending qwc partioning with repetition * Working state, cleaning is wip. * Givens gate (#135) * added givens gate decomposition Co-authored-by: ValentinS4t1qbit <[email protected]> * Notebook classical shadow (#123) Classical shadows notebook. It has been added to tests as well Co-authored-by: ValentinS4t1qbit <[email protected]> * added class to prepare or decompute an arbitrary statevector (#137) * Many small todos (#138) * Add an explanation how Circuit.reindex_qubits method is working. * ClassicalShadows.simulate only unique circuit (massive speedup). * Better management of backend options in VQESolver. * CS notebook update. * Comment fix for new return. * No need of n_electrons with ref_state==zero. * Change method for simulate (noisy?). * Diag coulomb (#136) * diagonalizing circuits implemented and tested * improvements to jkmn leaf->majorana selection (#139) * improvements to jkmn leaf->majorana selection * Use of get_vector function. * Change constructors -> classmethod. * Change interface + working state. * Stage where I have to write tests. * Test for HybridOperator and Z2 tapering. * Conformance tests + typos. * Moved file + typos. * Added tests for matrix manip. * Full path of load_operator in tests. * Permit all active orbitals partially occupied (#146) * ONIOM capping with chemical groups (#141) * Implementation for other chemical groups capping in ONIOM. Tests, docs. * uccgd ansatz (#144) * uccgd ansatz for use in SA-OO-VQE * First round + added spin=\=0 fix. * Support for symmetry, now call pyscf directly (#147) * call pyscf directly, symmetry now supported * Rotosolve implementation as an optimizer for parameterized circuits (#142) * rotosolve implementation and tests * ONIOM multisolvers (#143) * Multisolver support in ONIOM * Added others solvers to ONIOM, added tests and ROHF support (RHF->HF). * sa_vqe_solver from sa-oo-vqe branch * added import to __init__ * fixes for PR * clearer documentation * change statevector jkmn * replaced jkmn_prep_circuit with jkmn_prep_vector * Fixed error message. * Some reviews. * JKMN z2 tapering tests. * Docstrings in tests. * Speed improvement + bitwise operations + moved collapse function. * Passing conformance tests. * added state averaged orbital optimized files * merged molecule symmetry changes * Update test_hybridoperator.py aligning. * Hybrid -> Multiform. * Small fixes. * PR changes * support for reading in xyz files (#151) * support for reading in xyz files * Update z2_tapering.py * Update sa_oo_vqe_solver.py * Ilc ansatz (#132) * Add ILC ansatz class * updates to qmf, qcc, and ilc ansatz classes * enable QMF and ILC classes to read-in and process data from OpenFermion *.hdf5 files and other small fixes. Co-authored-by: ValentinS4t1qbit <[email protected]> * Updating information, and adding Windows install comment (#155) * Quantum deflation (#152) * added deflation * added ref_states as circuit and to VQESolver * added ref_state and deflation to adapt vqe Co-authored-by: ValentinS4t1qbit <[email protected]> * changed default basis to crenbl in pyscf, added ecp option (#156) * changed default basis to crenbl for pyscf to retrieve number of electrons & atoms, added ecp option * Cancel redundant gates (#153) * Functions / methods to remove small rotations, and remove gates that cancel each other * Circuit depth (#159) * Depth method for Circuit class * MI-FNO link (#157) * MI-FNO helper class. Added tests + reconstruction of MI energy, support for building sermonic operators for fragments * Iqcc solver (#154) * iQCC solver, frobenius norm compression method on QubitOperator Co-authored-by: ValentinS4t1qbit <[email protected]> * MIFNO notebook (#161) * MIFNO notebook. Added to tests and sphinx docs Co-authored-by: Valentin Senicourt <[email protected]> Co-authored-by: ValentinS4t1qbit <[email protected]> * Docs fix + tutorials removal from sphinx docs (#162) * Docs: requirements.txt no longer needed. Tutorials removed from generated docs (redundant with Github, issues with latex, looks better on github and will display images once repo is public Co-authored-by: AlexandreF-1qbit <[email protected]> * readme upgrade (#164) * readme upgrade and images, contributions.rst for code of conduct mention * Fixes for docs and readme, files for Pypi (#166) * Docs and readme fixed with feedback. Pypi file removed as it hinders the installation from source process: a guide will be provided to maintainer team for pypi update. Co-authored-by: AlexandreF-1qbit <[email protected]> * Version number and changelogs bumped 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: 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]>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Added the diis and richardson extrapolation functions and unit tests