=============== Release History =============== Unreleased ---------- New calculation interface ~~~~~~~~~~~~~~~~~~~~~~~~~~~ * Return labeled matrix factories from ``build_op`` and numerical ``get_ops``. Call a factory explicitly for matrix arithmetic. ``ed``, ``xas``, and ``rixs`` now dispatch using ``.backend`` labels and no longer accept ``backend=``. * Construct matrices inside the numerical backends. Dense and SciPy eagerly materialize inputs at calculation start, as does PETSc ED. PETSc XAS and RIXS accept ``matrix_lifetime`` with ``'retain'`` (default) and ``'recompute'`` policies for reusing matrices or releasing and rebuilding them between operations. * Introduce a staged workflow that separates physical model construction, many-body operator construction, diagonalization, and spectral calculations: ``model_*`` → ``get_ops`` → ``ed`` → ``xas`` / ``rixs``. * Add backend-independent ``model_1v1c``, ``model_2v1c``, ``model_siam``, and ``model_siam_2d1p`` constructors, including sparse Coulomb tensors and a charge-transfer parameterization for a d impurity, bath, and p core. * Make SciPy the default backend, with sparse operator construction and Krylov methods for ED, XAS, and RIXS. Dense calculations and native Fortran/MPI solvers are also available through the staged interface. * Provide a PETSc backend with distributed operator construction and solvers. * Add compact Fock-basis specifications with interchangeable combinadic and explicit basis construction. Operator construction uses Numba by default; ``use_numba=False`` selects Python construction. * Validate ``backend_kws`` by backend and operation, with typo suggestions, documented defaults, and value constraints. Numerical methods and utilities ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ * Support an energy-reference shift for SciPy, dense, and PETSc diagonalization while returning eigenvalues in the original reference. Models return the shift alongside their operator inputs. The Fortran backend warns and continues when a nonzero shift is supplied. * Reuse SciPy RIXS intermediate-state solves across outgoing polarization channels sharing the same incoming polarization. * Add conversions between Racah parameters and d-shell Slater integrals. * Expand tests for model construction, basis ordering, fermionic signs, backend consistency, and XAS/RIXS spectra. Compatibility and migration ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ * ``build_op`` and numerical ``get_ops`` now return factories rather than matrices. Call a factory to obtain a matrix for arithmetic. Public ``ed``, ``xas``, and ``rixs`` require labeled factories or Fortran disk handles and reject the removed ``backend`` keyword. Backend-specific staged solvers also require factories. See :ref:`lazy-operators`. * Deprecate the legacy model-specific Python and Fortran solver wrappers in favor of the staged interface. Existing wrappers emit deprecation warnings. * Reject isotropic RIXS polarization; specify incoming and outgoing polarization channels explicitly. Isotropic XAS remains supported. Documentation and packaging ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ * Update the examples for the staged workflow and document the SciPy, dense, and Fortran backend options and numerical-precision considerations. * Clarify Slater-integral normalization and add versioned documentation and stricter documentation validation. * Correct the CMake extension name used by packaging, automate Docker Hub release publishing, and update installation guidance and dependencies. This page summarizes the user-visible changes in each tagged release. See the `GitHub releases page `_ for the complete release notes and downloadable artifacts. v0.1.3 (2026-09-08) -------------------- * Updated the build system to support installation on Apple silicon. This release does not change the physics functionality. * Revised the charge-transfer examples and documentation and made minor example-maintenance improvements. `Release notes `__ | `Changes since v0.1.2 `__ v0.1.2 (2026-05-06) -------------------- * Fixed several small issues in the solvers, examples, and documentation, including a missing spinor and outdated ``pkg_resources`` usage. * Improved wheel generation, supported Python versions, development-container setup, installation guidance, and documentation publishing. * Added and clarified examples for scattering geometry, NiO, and execution-time estimates. `Release notes `__ | `Changes since v0.1.1 `__ v0.1.1 (2024-06-05) -------------------- * Fixed the ``end_indx`` handling in the Fortran expectation-value driver and corrected macOS compilation. * Updated Docker packaging, installation documentation, and the publication list. `Release notes `__ | `Changes since v0.1.0 `__ v0.1.0 (2023-10-13) -------------------- * Added a CMake-based build and improved macOS support. * Added examples covering Hund's coupling and charge-transfer excitons, and refreshed the existing examples and Binder setup. * Expanded the documentation and publication list. `Release notes `__ | `Changes since v0.0.8 `__ v0.0.8 (2022-10-28) -------------------- * Fixed polarization normalization in the Python XAS solver. * Added and revised RIXS, Hubbard-model, crystal-field, and transition examples, along with substantial documentation and continuous-integration updates. `Release notes `__ | `Changes since v0.0.7 `__ v0.0.7 (2020-09-07) -------------------- * Improved the examples, documentation, and installation instructions. * Added the missing Cu ``d10_2p5`` Slater parameters and fixed several small issues. `Changes since v0.0.6 `__ v0.0.6 (2020-07-08) -------------------- * Added three gallery examples, including a charge-transfer calculation. * Added utilities that derive impurity and bath energy levels from the charge-transfer energy and ``U``, and fixed several bugs. `Release notes `__ | `Changes since v0.0.5 `__ v0.0.5 (2020-06-03) -------------------- * Updated the documentation and examples, including expectation-value and Python-tips material. `Release notes `__ | `Changes since v0.0.4 `__ v0.0.4 (2019-07-01) -------------------- * Corrected the source distribution and extension-linker configuration for packaging, including Conda packaging. `Changes since v0.0.3 `__ v0.0.3 (2019-06-28) -------------------- * Included ``requirements.txt`` in the source distribution. `Changes since v0.0.2 `__ v0.0.2 (2019-06-27) -------------------- * Added simpler APIs for angular-momentum and many-body operators. * Corrected isotropic XAS calculations and improved Docker/Jupyter support. `Changes since v0.0.1 `__ v0.0.1 (2019-05-15) -------------------- * Initial tagged release of EDRIXS. `Source at v0.0.1 `__