# GEMS Changelog

## Version 0.7

- Added routines for fitting UV-vis spectra.
- Added menus to GUI for fitting options
- (lots of) Code cleanup to avoid duplicated code
- Added ‘About’ dialog in GUI

## Version 0.6

- Code cleaning
- Bug corrected on wrong population calculations
- new `gems.libuk.microstate_population()`.
- Improved setup.py
- Deprecated functions removed from `gems.libuk`.
- Added `gems.libio.import_numpy()` to factilitate type conversion when importing from NumPy arrays.

## Version 0.5

- Code cleaning
- Added option -v for choosing the verbosity of output
- Added `gems.report.minimal_report()` for minumum verbosity
- Added `gems.libio.load_file_spectra()` for loading spectrophotometric data.
- updated `gems.libio.export_numpy()` to used infodict instead of the
    deprecated pre_plotting.
- `gems.report.report_molecule()` and `gems.report.generate_scheme()`
    moved to `gems.report`.
- Major internal rewriting of `gems.plotter` and `gems.fit`
- Some functions are deprecated
- Main script renaming from gems.py to rungems.py
- Submodule gems.run renamed gems.report
- Major reorganisation of src folder into module gems and script gems.py

## Version 0.4

- Added plot `gems.plot_energies()`.
- Added Maxima Analysis
- Removed unnecesary lstsq calls for calculating B-matrix
- Added GUI with Tkinter. Created `gems.gui`
- moved some functions to `gems.fit` and `gems.libio`
- Many long functions split in more comprehensive chunks.
- Added help menu
- Added save input and output
- Added command line option ‘-w’ for saving data as numpy array.

## Version 0.3

- Added auxiliary function `gems.libuk.num_prot_centres()`
- Improved `libuk.error_macro_constants()`, `gems.libuk.macro_constants()` and `gems.libuk.conditional_probability2()`.