Jupyter Interrupt

Normal search can now be interrupted from inside the jupyter notebook (when inside the gradient search you still can't interrupt the system)

Workshop try again

Put a limit on emcee version and fixed a few other small bugs

Hopefully final workshop version

This version has improved graphs and a dedicated gradient score that needs a starting point (for use in the workshop)

MCMC working again

MCMC is working again after some bugs were found and fixed with the version readied for PyPi
More settings have sane default values and can just be left at their defaults.

Fixed SSE Fractionation

Fractionation SSE has been fixed. This version has been pushed to PyPi also to make it easier for the workshop.

CADETMatch more automatic v2

Last release had a bug that broke some scores. This version fixes it.

CADETMatch more automatic

Absolute tolerance, relative tolerance and timeout are all automatic now. Timeout is especially important since the right timeout for your laptop is not the same as the right timeout for a server.

Use the minimum score to determine progress

CADET workshop testing

Hopefully this version is ready for the workshop but I am sure some more bugs will be found and fixed

With this version I made the new NSGA3 version the default. I moved a lot of older scores and search algorithms to the obsolete folder. I have also upgraded the sliding fractionation system to use splines which has made the score smoother and improved convergence.

CADETMatch command line interface

CADETMatch now has a command line interface. Information can be found at https://nbviewer.jupyter.org/github/modsim/CADET-Tutorial/blob/master/CADET-Tutorial/CADETMatch%20command%20line.ipynb while a general tutorial for installing and basic setup for Windows can be found at https://nbviewer.jupyter.org/github/modsim/CADET-Tutorial/blob/master/CADET-Tutorial/CADET%20Install%20windows.ipynb .

This version also has better defaults and other upgrades based on writing the Windows installation instructions.

Depend on CADET-Python

This version now depends on CADET-python and no longer includes the python interface in it.