Catchup: develop to match main v0.4.2 (#368)

* Main to catch up with develop (#344)
* Helper class and functions for iFCI fragment import (#351)
* Set the instance in a Qiskit runtime job (#352)
* Added trim_qubits option to Circuit.split() (#353)
* Measurement Controlled operations (CMEASURE) (#334)
* Fix after qiskit update: qiskit_noise_model (#354)
* Bugfix: DMET fragment object initialization from IntegralSolver fixed (#355)
* added explicit mo_coeff for H4_cation (#356)
* VQE get_rdm performance improvements (#357)
* Implementation of Frozen Natural Orbitals (FNO) (#358)
* UHF reference symmetry labels. (#360)
* FNO: NotImplementedError for ROHF (#362)
* Iterative Quantum Phase Estimation (#359)
* README minor changes + feature overview link (#363)
* Add feature list (#364) (#365)

---------

Co-authored-by: Valentin Senicourt <[email protected]>
Co-authored-by: AlexandreF-1qbit <[email protected]>
Co-authored-by: James Brown <[email protected]>
Co-authored-by: James Brown <[email protected]>
Co-authored-by: ValentinS4t1qbit <[email protected]>

CHANGELOG.md

@@ -2,6 +2,55 @@
 
 This file documents the main changes between versions of the code.
 
+## [0.4.2] - 2023-12-20
+
+### Added
+
+- iQPE algorithm
+- support for adaptive circuit with mid-measurement controlled operations
+- iFCI fragment import
+- FNO for active space selection
+- UHF symmetry reference labels
+- IBMConnection now supports target instance
+
+
+### Changed
+
+- Performance improvement: VQE get_rdm
+- Feature: trim qubits flag for circuit.split
+- Bugfix: adapt to new qiskit version for noisy simulation
+- Bugfix: DMET fix for solvers and fragment object initialization with options
+- Bugfix: trim_trivial_qubits
+
+
+### Deprecated / Removed
+
+
+## [0.4.1] - 2023-10-18
+
+### Added
+
+- QM/MM problem decomposition
+- QPE framework
+- Truncated taylor series function returning qubits
+- simplify method on Circuit
+
+### Changed
+
+- Automated testing currently covering python 3.8, 3.9, 3.10, 3.11 (#333)
+- Installation: pyscf removed from requirements
+- Performance improvement: combinatorial mapping
+- Feature: ILC iteration now implements exact expansion / parameters
+- Feature: VQE-like algorithms verbose mode now prints and tracks energies, for users interested in the convergence of the algorithm.
+- Bugfix: Combinatorial mapping now handles spin != 0 (#330)
+- Bugfix: get_expectation_value takes into account n_shots for all backends supporting the option.
+- Bugfix: Fix corner case of FCI and CCSD solvers calculations (mo coefficients were occasionally recomputed differently).
+- Bugfix: Updates in IBMConnection to keep up with changes in qiskit-runtime.
+
+
+### Deprecated / Removed
+
+
 
 ## [0.4.1] - 2023-10-18
 
@@ -47,7 +96,7 @@ This file documents the main changes between versions of the code.
 - Bugfix: DMET with virtual space truncation threshold, as well as ecp
 - ADAPT now supports spin as parameter
 
-### Deprecatedv / Removed
+### Deprecated / Removed
 
 - in linq: Old translation functions, and Simulator class (use get_backend or translate_circuit instead)
 

tangelo/_version.py

@@ -14,4 +14,4 @@
 
 """ Define version number here. It is read in setup.py, and bumped automatically
 when using the new release Github action. """
-__version__ = "0.4.1"
+__version__ = "0.4.2"