LG4X-V2

• The fitting process was moved to its own thread, thereby enabling us to kill the fitting process from the GUI if the optimization takes too long. Thereby implementing the long-standing suggestion by @Hexanders in https://github.com/Julian-Hochhaus/LG4X-V2/issues/5. Implemented in https://github.com/Julian-Hochhaus/LG4X-V2/commit/a552ec58b035bde0cf5508da422b02b92e4396ac
• All user-defined models were moved to an external package called lmfitxps, which is available via pip and on github.
• @kevinsmia1939 created a logo and added several files (desktop file, metainfo) in preparation for publishing the software on flathub in https://github.com/Julian-Hochhaus/LG4X-V2/pull/79 ## What's New (Minor changes)
• Tables are now members of the class EditableHeaderTableWidget, which inherits from QtWidgets.QTableWidget and enables the user to edit table headers. Thereby, components used in the fit can now be renamed. In addition, clicking on the table header now opens a dialog, where the user can choose to remove selected components from the fit model. If header names are changed, the program checks for duplicates and renames components if necessary. Implemented by @Julian-Hochhaus in https://github.com/Julian-Hochhaus/LG4X-V2/commit/94f72a3876a5c5f8aa7c716af01920a7148a33f0, https://github.com/Julian-Hochhaus/LG4X-V2/commit/3bad8ce8e42bf48432faac2d69dffa91f1db2397, and https://github.com/Julian-Hochhaus/LG4X-V2/commit/ddd4364391413a30bc2452b0e4e3e1e9e9dc4d2c
• Names of components are now exported to the pars.dat file so that the user is able to individually name fit components and later reuse the saved parameters belonging to specific identified and named fit components as suggested by @kevinsmia1939 and implemented by @Julian-Hochhaus in https://github.com/Julian-Hochhaus/LG4X-V2/commit/90b466ba943e7e5e8f648a85db0efe7a24fe325f.
• Further improved the support for .vms files. Importing more information from VAMAS, such as excitation energy. See https://github.com/Julian-Hochhaus/LG4X-V2/commit/5564c6b9ec0a550447a6d737ac1efc832569459d
• The static Shirley background is now calculated using the same Model as the active one as suggested by @kevinsmia1939 . In addition, the static backgrounds are now exported as well and are displayed in the plot too. See Issue https://github.com/Julian-Hochhaus/LG4X-V2/issues/66 and commits https://github.com/Julian-Hochhaus/LG4X-V2/commit/369940b3ac4fd6b6b537d4c69c5b9b4a0a9d7516, https://github.com/Julian-Hochhaus/LG4X-V2/commit/666b40357d5c80650cbb3302bbe9f606a9b806b0, and https://github.com/Julian-Hochhaus/LG4X-V2/commit/88d1c3f9a089335219491f4c6b71969f53edf050

• Fix ValueError if - is used in input fields by @kevinsmia1939 in https://github.com/Julian-Hochhaus/LG4X-V2/pull/50
• Made sure, that the bg_mod variable is always set to None and caught all cases when bg_mod is not used in the model, solving Issue https://github.com/Julian-Hochhaus/LG4X-V2/issues/52 reported by @kevinsmia1939. Fixed by @Julian-Hochhaus in https://github.com/Julian-Hochhaus/LG4X-V2/commit/7532e1d9bacf398aa6130f8fca24162570415272.
• zeros and NaN in the input data and in ModelResult are now caught, preventing the program from crashing as reported by @kevinsmia1939 in https://github.com/Julian-Hochhaus/LG4X-V2/issues/55 and fixed by @Julian-Hochhaus in https://github.com/Julian-Hochhaus/LG4X-V2/commit/a77a20accc8b93cab6f647ab20562be45c2eb5ca
• Pressing Refresh in the periodic table caused crashes due to a small typo. Issue https://github.com/Julian-Hochhaus/LG4X-V2/issues/58 resolved by commit https://github.com/Julian-Hochhaus/LG4X-V2/commit/21035237
• removing constraints on fit parameters to enable the use of kinetic energy scale as well as binding energy scale, limits for the asymmetry parameter are now set based on which energy scale is used (see Issue https://github.com/Julian-Hochhaus/LG4X-V2/issues/71, https://github.com/Julian-Hochhaus/LG4X-V2/issues/59, and https://github.com/Julian-Hochhaus/LG4X-V2/issues/73 by @kevinsmia1939 and commits https://github.com/Julian-Hochhaus/LG4X-V2/commit/124e375746bf519c68b9f372bfdd50d64051c0b0, https://github.com/Julian-Hochhaus/LG4X-V2/commit/884631f6f6dae4b6e50acfa7b8d8a4e053c0a5a7, and https://github.com/Julian-Hochhaus/LG4X-V2/commit/164385ac3f5565cf2898e853f7a232e2e56d3efa)
• several bugs with the calculation of FWHM's as well as areas using binding energy scale were solved by @kevinsmia1939 and @Julian-Hochhaus , see https://github.com/Julian-Hochhaus/LG4X-V2/commit/24d60f306352414f1b2c844ab75bfdb6304f04ed, https://github.com/Julian-Hochhaus/LG4X-V2/commit/9d021e8416dd8f53fffa185b76e0a40bd7230d14, and https://github.com/Julian-Hochhaus/LG4X-V2/commit/ea8ffb8a772082725847b9ee780f63f1d17f6492

• @kevinsmia1939 made his first contribution in https://github.com/Julian-Hochhaus/LG4X-V2/pull/50. In addition, he put outstanding effort in improving the program by submitting various suggestions and issues as well as contributing to the code. In addition, he designed a logo and prepared the publication as flatpak. Thanks for your effort!

Full Changelog: https://github.com/Julian-Hochhaus/LG4X-V2/compare/98c992e...70f37b1