News
=====

This page contains the latest news and changes in ESCAPE. For a complete history of changes, see the sections below.


Complete Changelog
-----------------


Development Version (Unreleased)
-------------------------------

Features
^^^^^^^^
- Added comprehensive peak function implementations to core library
- Added base minimizer class for all types of minimizers
- Added Statistical Quasi Gradient strategies for DE optimizer
- Added constraints support
- Added comprehensive widget visualization support for Escape objects

Fixes
^^^^^
- Fixed Docker command
- Fixed possible unclosed mdb file
- Fixed np.NaN handling
- Fixed wrong iscrystal flag
- Fixed duplicated load/save functionality
- Fixed wrong cost values after polishing of DE result
- Fixed mp_enorm implementation
- Fixed compilation errors
- Fixed missing mdb materials serialization
- Fixed failed unit tests
- Fixed parameter host issues
- Fixed torch import and availability checks
- Fixed type hints and improved error handling
- Fixed function signatures in torch regressor
- Fixed population size limits

Improvements
^^^^^^^^^^^
- Improved DE optimizer with new features
- Improved regressor implementation with inheritance
- Improved widget configuration and initialization
- Improved project structure and dependencies
- Improved code formatting and whitespace
- Improved test cases and testing framework
- Improved type checking and hints
- Improved CI configuration and build scripts
- Improved versioning logic

Refactoring
^^^^^^^^^^
- Refactored widget configuration in core classes to use generic types
- Refactored torch import handling in regression tests
- Refactored Windows Python test script for virtual environment support
- Refactored parameter handling and optimization
- Refactored cost and model separation
- Refactored regressor transformer plot function
- Removed domain size template argument from functors
- Removed redundant test cases
- Removed unused strategy handling

Documentation
^^^^^^^^^^^^
- Updated submodule references in website and notebooks

Dependencies
^^^^^^^^^^^
- Updated Dockerfile to use boost 1.88.0
- Updated CI images to local-manylinux
- Updated Python dependencies
- Pinned plotly version to 5.24.1
- Added typing_extensions to dependencies

Testing
^^^^^^^
- Replaced unittest with pytest for improved testing
- Updated test scripts for Python 3.10, 3.12, and 3.13 support
- Enhanced error handling in regressor methods
- Improved handling of torch availability in tests



Version 0.9.7 (2023-10-29)
-----------------------------------------

Features
^^^^^^^^
- Added Material Database module `escape.scattering.mdb`
- Added experimental `diffreftrans` module for HRXRD applications
- Improved materials module `escape.scattering.materials` with new methods

Improvements
^^^^^^^^^^^
- Updated notebooks and examples to use the new material database module
- Updated documentation

Fixes
^^^^^
- Various bug fixes

Version 0.9.6_fix (2023-03-26)
------------------------------

Fixes
^^^^^
- Fixed critical build issues
- Fixed dependency conflicts
- Fixed version numbering

Version 0.9.6 (2022-10-01)
-----------------------------------------

Features
^^^^^^^^
- Added cluster kernel for simple parallelization using `ipyparallel` library
- Added notebook for superball form-factor

Improvements
^^^^^^^^^^^
- Improved integration methods
- Improved documentation

Fixes
^^^^^
- Various bug fixes

Version 0.9.5 (2022-07-06)
-----------------------------------------

Improvements
^^^^^^^^^^^
- Updated dependencies

Fixes
^^^^^
- Minor bug fixes

Version 0.9.4 (2022-06-23)
-----------------------------------------

Features
^^^^^^^^
- Added probing serialization of the model state to binary format

Fixes
^^^^^
- Fixed bugs in the polarized neutron reflectivity handlers

Version 0.9.3 (2022-02-06)
-----------------------------------------

Features
^^^^^^^^
- Added `polnreftrans` module for calculation of Fresnel coefficients and wave function in layers for polarized neutrons

Version 0.9.2 (2021-08-04)
-----------------------------------------

Features
^^^^^^^^
- Added support for Docker installation

Fixes
^^^^^
- Fixed deprecation warnings from the `numpy` library
- Minor bug fixes

Version 0.9.1 (2021-04-05)
-----------------------------------------

Features
^^^^^^^^
- Added functors for paracrystal and hard sphere structure factors
- Added `reftrans` module for calculation of Fresnel coefficients and wave function in layers
- Added `escape.require` method for version check of `ESCAPE`

Improvements
^^^^^^^^^^^
- Updated and improved material database `utils.mdb`
- Improved `conditional` functor

Fixes
^^^^^
- Various bug fixes

Version 0.9.0 (2020-10-12)
-----------------------------------------

Features
^^^^^^^^
- Major release with new architecture
- Added comprehensive optimization framework
- Added improved visualization system

Improvements
^^^^^^^^^^^
- Complete rebuild of core components
- Improved performance and stability
- Enhanced documentation

Version 0.8.1 (2019-11-28)
-----------------------------------------

Features
^^^^^^^^
- Added new peak functions
- Added improved parameter system

Fixes
^^^^^
- Fixed critical bugs
- Fixed performance issues
- Fixed documentation

Version 0.8.0 (2019-09-14)
-----------------------------------------

Features
^^^^^^^^
- Initial public release
- Basic optimization framework
- Core peak functions
- Basic visualization tools

Improvements
^^^^^^^^^^^
- Initial documentation
- Basic test coverage
- Core functionality