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.
- updated
- Major internal rewriting of
gems.plotter
andgems.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
andgems.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()
andgems.libuk.conditional_probability2()
.