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