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Excited States algorithms and support for Chemistry#1354

Merged

woodsp-ibm merged 226 commits intoqiskit-community:masterfrom

pbark:excited_states_interface

Oct 16, 2020

Commits on May 28, 2020

Merge pull request #2 from Qiskit/master
Panagiotis Barkoutsos
authored

Commits on Sep 14, 2020

Commits on Sep 16, 2020

Commits on Sep 17, 2020

ground state interface minimum eigensolver
Panagiotis Barkoutsos
committed
Add MinimumEigensolver interface to VQEAdapt
mrossinek
committed
Implement the AdaptVQEGroundStateCalculation class
mrossinek
committed

Commits on Sep 18, 2020

comments
stefan-woerner
committed
initial bopes sampler
Panagiotis Barkoutsos
committed

Commits on Sep 21, 2020

fermionic transformation working
Panagiotis Barkoutsos
committed
naming
Panagiotis Barkoutsos
committed
compute eigenvalue MinEigensolver works
Panagiotis Barkoutsos
committed
return raw results until I make the GroundStateResult
Panagiotis Barkoutsos
committed
now the fermionic transformation returns a molecular ground state result working with mineigensolver result
Panagiotis Barkoutsos
committed
added TODOs
Panagiotis Barkoutsos
committed

Commits on Sep 24, 2020

Commits on Sep 29, 2020

patch MES result to GSC result instead of returning a tuple
Cryoris
committed
Merge branch 'interfaces_dev' into ground_state_interface
Panagiotis Barkoutsos
committed
Merge branch 'master' into interfaces_dev
Panagiotis Barkoutsos
committed
Merge branch 'interfaces_dev' of github.com:pbark/qiskit-aqua into interfaces_dev
Panagiotis Barkoutsos
committed
Merge branch 'interfaces_dev' into ground_state_interface
Panagiotis Barkoutsos
committed
files fixes for GSC interface
Panagiotis Barkoutsos
committed
rm utf8 headers
Cryoris
authored
fix spell, lint, mypy
manoelmarques
committed
Merge branch 'master' into ground_state_interface
Panagiotis Barkoutsos
authored
Remove `custom_excitation_pool` from AdaptVQE `compute_ground_state` function
mrossinek
committed
fix mypy
manoelmarques
committed
fix lint
manoelmarques
committed

Commits on Sep 30, 2020

Re-enable DeprecationWarnings after VQEAdapt has been initialized
mrossinek
committed
Fixes several minor nit-picks
mrossinek
committed
make MESFactory an interface only
Cryoris
committed
fix copyright years
Cryoris
committed
derive from MESFactory and update docs
Cryoris
committed
update docstrings and add molecule_info
Cryoris
committed
consistent naming in ``ground(_)state``
Cryoris
committed
fix spell
Panagiotis Barkoutsos
committed
more spell, deprecate MGSE
Panagiotis Barkoutsos
committed
fix deprecation
Panagiotis Barkoutsos
committed
more style
Panagiotis Barkoutsos
committed
test fixes
Panagiotis Barkoutsos
committed
fixes
Panagiotis Barkoutsos
committed
Merge branch 'master' into ground_state_interface
Panagiotis Barkoutsos
authored
[WIP] basic Result-interfaces
mrossinek
committed
Remove BosonicTransformation from this PR
mrossinek
committed
AdaptVQE actually supports aux_operators
mrossinek
committed
[wip] resolve cyclic import problems
mrossinek
committed
Make AdaptVQE use the FermionicGSResult
mrossinek
committed
Use FermionicGroundStateResult in MinimumEigensolverGroundStateCalculation
mrossinek
committed
Fix mypy
mrossinek
committed
Filter DeprecationWarnings in unittests
mrossinek
committed
Add TODO in AdaptVQE unittest
mrossinek
committed
Add missing unittest imports
mrossinek
committed
mypy fix
adekusar-drl
committed
Merge branch 'ground_state_interface' of https://github.com/pbark/qiskit-aqua into ground_state_interface
adekusar-drl
committed

Commits on Oct 1, 2020

Commits on Oct 2, 2020

Commits on Oct 5, 2020

unitests WIP first commit
Panagiotis Barkoutsos
committed
remove deprecation suppressing from new tests
Panagiotis Barkoutsos
committed

Commits on Oct 6, 2020

support additional aux ops and conv to dict
Cryoris
committed
fix aux_ops=None
Cryoris
committed
lint, style
adekusar-drl
committed
more test
Panagiotis Barkoutsos
committed
Merge branch 'ground_state_interface' of github.com:pbark/qiskit-aqua into ground_state_interface
Panagiotis Barkoutsos
committed
fixes in test
Panagiotis Barkoutsos
committed
fix style
manoelmarques
committed
Merge branch 'master' into ground_state_interface
manoelmarques
authored
fix mypy
manoelmarques
committed
Merge branch 'ground_state_interface' of github.com:pbark/qiskit-aqua into ground_state_interface
manoelmarques
committed
fix mypy
manoelmarques
committed
fixes in fermionic trafo
Panagiotis Barkoutsos
committed
Merge branch 'ground_state_interface' of github.com:pbark/qiskit-aqua into ground_state_interface
Panagiotis Barkoutsos
committed
Merge branch 'master' into ground_state_interface
manoelmarques
authored

Commits on Oct 7, 2020

remove editor created redundant file
Panagiotis Barkoutsos
committed
resolved tests
Panagiotis Barkoutsos
committed
docstring fix
Panagiotis Barkoutsos
committed
Merge branch 'ground_state_interface' of github.com:pbark/qiskit-aqua into ground_state_interface
Panagiotis Barkoutsos
committed
fix error & specify type hint
Cryoris
committed
Merge branch 'ground_state_interface' into aux_operators
Cryoris
committed
change typehint Any -> FermionicOp
Cryoris
committed
add missing imports
Cryoris
committed
spell
Panagiotis Barkoutsos
committed
suggestions from code review
Cryoris
committed
consistent use in .keys()
Cryoris
committed
type hints, minor improvements
adekusar-drl
committed
Rethink the qiskit.chemistry.results
mrossinek
committed
Remove unneeded DeprecationWarning from AdaptVQEResult
mrossinek
committed
Update some docstrings
mrossinek
committed
fix lint
manoelmarques
committed
revert back to lists of aux_ops
Cryoris
committed
Merge branch 'ground_state_interface' into aux_operators
Cryoris
committed

Commits on Oct 8, 2020

Commits on Oct 10, 2020

Merge branch 'master' into ground_state_interface
manoelmarques
authored

Commits on Oct 11, 2020

Merge branch 'ground_state_interface' of https://github.com/pbark/qiskit-aqua into excited_states_interface
paulineollitrault
committed

Commits on Oct 12, 2020

fixes in tests
Panagiotis Barkoutsos
committed
Merge branch 'ground_state_interface' of github.com:pbark/qiskit-aqua into ground_state_interface
Panagiotis Barkoutsos
committed
fixes in tests and revert to molecule_methods
Panagiotis Barkoutsos
committed
remove two duplicate tests
Panagiotis Barkoutsos
committed
Merge branch 'master' into ground_state_interface
manoelmarques
authored
Expose some VQE arguments in the VQEUCCSDFactory
mrossinek
committed
Merge branch 'master' into ground_state_interface
manoelmarques
authored
test commit
Mario Motta
committed
fix spell
manoelmarques
committed
fix bugs qeom code and first version of test for numerical qeom
paulineollitrault
committed
added the build_hopping_operator capability in the transformation
paulineollitrault
committed
modified results to take excited states components
paulineollitrault
committed
Merge branch 'excited_states_interface' of https://github.com/pbark/qiskit-aqua into excited_states_interface
paulineollitrault
committed
reverted due to missing part of the test uccsd_HF
Panagiotis Barkoutsos
committed
remove test EOM todos
Panagiotis Barkoutsos
committed
Merge branch 'ground_state_interface' of github.com:pbark/qiskit-aqua into ground_state_interface
Panagiotis Barkoutsos
committed
lint
Panagiotis Barkoutsos
committed
more lint
Panagiotis Barkoutsos
committed
more lint
Panagiotis Barkoutsos
committed

Commits on Oct 13, 2020

Commits on Oct 15, 2020