Easydiffraction

Changes

- GSAS-II calculation engine has been removed.
- Overall application performance has been significantly improved.

Bug Fixes

- Summary report export widget is now properly enabled for custom projects.
- Undo/redo functionality has been fixed.

New Features

- Simulating and fitting polarised data using the [CrysPy](https://github.com/ikibalin/cryspy) calculation engine.
- Reading CIF files with experimental data and instrumental parameters.

Changes

- Default example with experimental phase has been modified.
- Added example projects with polarised data.
- Windows installer is now 64-bit.

Bug Fixes

- CrysFML simulation now shows Bragg peaks.
- Inclusion of the space group setting in calculations.
- The `Project save` button is now disabled for read-only example projects.
- The `Reset state` functionality now resets calculator choice.
- Overall performance has been improved.

Features

- Simulating and fitting multi-phase data using the [CrysPy](https://github.com/ikibalin/cryspy) calculation engine is now supported.

Changes

- The MacOS installer is now digitally signed allowing for safer and less intrusive installation process.

Bug Fixes

- Adding a new atom is now case-insensitve.
- Changing sample name in the Sample tab functionality has been fixed.
- Performance of project load has been improved.

Features

- Simulating and fitting time-of-flight (TOF) data using the [CrysPy](https://github.com/ikibalin/cryspy) calculation engine is now supported.
- Dependent and independent parameter constraints can be constructed for use during fitting.

Changes

- Reset the estimated standard deviations on the `Analysis` page after fitting if the `Fit` box becomes unchecked.

Bug Fixes

- The [lmfit](https://lmfit.github.io/lmfit-py/) minimization engine now works with the [CrysFML](https://code.ill.fr/scientific-software/crysfml) and [GSAS-II](https://subversion.xray.aps.anl.gov/trac/pyGSAS) calculators.
- Now project reset clears the simulated curve, experimental data, background and constraints tables.
- Size of the simulation/analysis chart on the `Summary` page has been fixed.
- The `Project save` button enable/disable state is now properly defined.
- Fixed updating a sample model via the build-in `CIF editor`.
- Now undo/redo triggers a parameter table update on the `Analysis` page.

Changes

- Implemented automatic update of the application and made it easier to update the application manually.
- Implemented a file-less interface with the CrysPy calculation engine.
- Add Bragg peaks for the GSAS-II calculation engine.
- Fitting calculations do not block the GUI on macOS anymore (implemented threading).
- Redesigned and expanded the application settings window.

Bug Fixes

- Added an icon to the application window on Windows and Linux.

- Ability to run in simulation-only mode
- Multiple crystallographic calculation engines: [CrysPy](https://github.com/ikibalin/cryspy), [CrysFML](https://code.ill.fr/scientific-software/crysfml) and [GSAS-II](https://subversion.xray.aps.anl.gov/trac/pyGSAS)
- Multiple minimization engines: [lmfit](https://lmfit.github.io/lmfit-py/), [bumps](https://github.com/bumps/bumps) and [DFO_LS](https://github.com/numericalalgorithmsgroup/dfols)
- High quality structure visualizer
- Interactive HTML report generation
- Built-in guided tutorials
- Improved visualization of experimental and simulated data
- Structural editor for cells and atoms
- Improved project management
- Parameter searching and filtering
- Engine independent cif interpreter/editor
- Engine independent background generation


Changes

- GSAS-II calculation engine has been removed.
- Overall application performance has been significantly improved.

Bug Fixes

- Summary report export widget is now properly enabled for custom projects.
- Undo/redo functionality has been fixed.