From e3bab23e8f214c7412d9414582448d28a75f2b27 Mon Sep 17 00:00:00 2001 From: Cryoris Date: Mon, 19 Oct 2020 14:28:58 +0200 Subject: [PATCH 1/3] add bopes sampler reno --- releasenotes/notes/bopes-sampler-49f0ff70a438e6e0.yaml | 7 +++++++ 1 file changed, 7 insertions(+) create mode 100644 releasenotes/notes/bopes-sampler-49f0ff70a438e6e0.yaml diff --git a/releasenotes/notes/bopes-sampler-49f0ff70a438e6e0.yaml b/releasenotes/notes/bopes-sampler-49f0ff70a438e6e0.yaml new file mode 100644 index 0000000000..35bb29a332 --- /dev/null +++ b/releasenotes/notes/bopes-sampler-49f0ff70a438e6e0.yaml @@ -0,0 +1,7 @@ +--- +features: + - | + A new algorithm has been added: the Born Openheimer Potential Energy surface for the + calculation of potential energy surface along different degrees of freedom of the molecule. + The algorithm is called ``BOPESSampler``. It further provides functionalities of fitting the + potential energy surface to an analytic function of predefined potentials.some details. From 01a36cd683ea0ef7c94759198defc85cf42dc6c3 Mon Sep 17 00:00:00 2001 From: Cryoris Date: Mon, 19 Oct 2020 14:29:16 +0200 Subject: [PATCH 2/3] mv 0.8 renos to own folder --- releasenotes/notes/{ => 0.8}/P_BFGS-MacOS-4013becffcdf435a.yaml | 0 .../notes/{ => 0.8}/UCCSD-excitation-list-0fbb1af60f47192f.yaml | 0 releasenotes/notes/{ => 0.8}/admm-optimizer-d482b33f2474244e.yaml | 0 .../notes/{ => 0.8}/admm-warm-start-6f5b5c801bcdf78f.yaml | 0 .../notes/{ => 0.8}/ae-num-oracle-queries-a14bd74321768de3.yaml | 0 releasenotes/notes/{ => 0.8}/ae-on-circuit-ea1d914f91c571d2.yaml | 0 releasenotes/notes/{ => 0.8}/aqgd-epochs-8e6ad87971e8e2db.yaml | 0 releasenotes/notes/{ => 0.8}/bopes-sampler-49f0ff70a438e6e0.yaml | 0 .../notes/{ => 0.8}/bosonic_interface-3065369ddfe9a6e2.yaml | 0 .../notes/{ => 0.8}/circs-bind-loses-meas-b11deaceefcf2178.yaml | 0 .../circuit-op-compose-register-indep-5f3fd76dbb75c84e.yaml | 0 .../notes/{ => 0.8}/cvar-expectation-bbc2ccff95132b35.yaml | 0 releasenotes/notes/{ => 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a/releasenotes/notes/vqe-adapt-fixes-8c584ab000ab5f8c.yaml b/releasenotes/notes/0.8/vqe-adapt-fixes-8c584ab000ab5f8c.yaml similarity index 100% rename from releasenotes/notes/vqe-adapt-fixes-8c584ab000ab5f8c.yaml rename to releasenotes/notes/0.8/vqe-adapt-fixes-8c584ab000ab5f8c.yaml diff --git a/releasenotes/notes/vqe-construct-circuit-cc30fbcc7a563474.yaml b/releasenotes/notes/0.8/vqe-construct-circuit-cc30fbcc7a563474.yaml similarity index 100% rename from releasenotes/notes/vqe-construct-circuit-cc30fbcc7a563474.yaml rename to releasenotes/notes/0.8/vqe-construct-circuit-cc30fbcc7a563474.yaml diff --git a/releasenotes/notes/vqe-expectation-122827ff3761537a.yaml b/releasenotes/notes/0.8/vqe-expectation-122827ff3761537a.yaml similarity index 100% rename from releasenotes/notes/vqe-expectation-122827ff3761537a.yaml rename to releasenotes/notes/0.8/vqe-expectation-122827ff3761537a.yaml From c9692830073511673f6a1ad35e57a7cea4a66195 Mon Sep 17 00:00:00 2001 From: Cryoris Date: Mon, 19 Oct 2020 14:33:46 +0200 Subject: [PATCH 3/3] fix chemistry renos --- .../bosonic_interface-3065369ddfe9a6e2.yaml | 24 +++------------ ...ted-states-interface-a7ac8ae621b35daa.yaml | 30 ++++++++----------- 2 files changed, 16 insertions(+), 38 deletions(-) diff --git a/releasenotes/notes/0.8/bosonic_interface-3065369ddfe9a6e2.yaml b/releasenotes/notes/0.8/bosonic_interface-3065369ddfe9a6e2.yaml index 5aca5833f5..d0e6047d35 100644 --- a/releasenotes/notes/0.8/bosonic_interface-3065369ddfe9a6e2.yaml +++ b/releasenotes/notes/0.8/bosonic_interface-3065369ddfe9a6e2.yaml @@ -1,25 +1,9 @@ --- -prelude: > - This release introduces an interface for running the available methods for - Bosonic problems. In particular we introduced a full interface for running - vibronic structure calculations. features: - - BosonicOperator - - BosonicTransformation - - GaussianForcesDriver - - GaussianLogDriver - - GaussianLogResult - - VQEUVCCSDFactory - - BosonicBasis - - HarmonicBasis - - VSCF - - UVCC - - VibronicStructureResult - - WatsonHamiltonian - - FermionicQubitMappingType - - BosonicQubitMappingType - - FermionicTransformationType - - BosonicTransformationType + - | + In addition to the workflows for solving Fermionic problems, interfaces for calculating + Bosonic ground and excited states have been added. In particular we introduced a full + interface for running vibronic structure calculations. deprecations: - TransformationType - QubitMappingType diff --git a/releasenotes/notes/0.8/excited-states-interface-a7ac8ae621b35daa.yaml b/releasenotes/notes/0.8/excited-states-interface-a7ac8ae621b35daa.yaml index c38d36d441..415753f525 100644 --- a/releasenotes/notes/0.8/excited-states-interface-a7ac8ae621b35daa.yaml +++ b/releasenotes/notes/0.8/excited-states-interface-a7ac8ae621b35daa.yaml @@ -1,20 +1,14 @@ --- -prelude: > - This release introduces an interface for excited states calculations. - It is now easier for the user to create a general excited states calculation. - This calculation is based on a Driver which provides the relevant information - about the molecule, a Transformation which provides the information about the - mapping of the problem into a qubit Hamiltonian, and finally a Solver. - The Solver is the specific way which the excited states calculation is done - (the algorithm). This structure follows the one of the ground state calculations. - The results are modified to take lists of expectation values instead of a single one. - The QEOM and NumpyEigensolver are adapted to the new structure. - A factory is introduced to run a numpy eigensolver with a specific filter - (to target states of specific symmetries). features: - - ExcitedStateSolver - - ExcitedStateEigensolver - - QEOM - - EigensolverFactory - - NumPyEigenSolverFactory - - ElectronicStructureResult + - | + An interface for excited states calculation has been added to the chemistry module. + It is now easier for the user to create a general excited states calculation. + This calculation is based on a ``Driver`` which provides the relevant information + about the molecule, a ``Transformation`` which provides the information about the + mapping of the problem into a qubit Hamiltonian, and finally a Solver. + The Solver is the specific way which the excited states calculation is done + (the algorithm). This structure follows the one of the ground state calculations. + The results are modified to take lists of expectation values instead of a single one. + The ``QEOM`` and ``NumpyEigensolver`` are adapted to the new structure. + A factory is introduced to run a numpy eigensolver with a specific filter + (to target states of specific symmetries).