LLEPE

Commit Graph

Author	SHA1	Message	Date
titusquah	aef26de2e2	Fixed README.md	5 years ago
titusquah	b5b62a51dc	Updated examples to include basic, filtered, and Pitzer fit methods.	5 years ago
titusquah	16382b0145	Changed iterative fit to only fit to multicomponent data.	5 years ago
titusquah	9fef8b78fb	Changed iterative fit to only fit to multicomponent data.	5 years ago
titusquah	af71a2c208	Updated documentation	5 years ago
titusquah	3571698900	Updated iterative_fitter.py to calculate error for all species. Added new test with mean squared error.	5 years ago
titusquah	6a4aad4266	Updated iterative_fitter.py to calculate error for all species. Added new test with mean squared error.	5 years ago
titusquah	4fa69a9b44	Updated iterative_fitter.py to fix slopes to 3, stop after minimal change in best objective. ALso added last results from iteration_fitter.py	5 years ago
titusquah	762f0764a5	Updated iterative_fitter.py	5 years ago
titusquah	70a71b62ae	Updated iterative_fitter.py	5 years ago
titusquah	23f4a466eb	Updated iterative_fitter.py	5 years ago
titusquah	e275b50e2c	Updated iterative_fitter.py	5 years ago
titusquah	fabec1e7ed	Updated iterative_fitter.py	5 years ago
titusquah	10da06937e	Updated iterative_fitter.py	5 years ago
titusquah	12723eed6b	Updated iterative_fitter.py	5 years ago
titusquah	1ad6d8e925	Added new feature to include custom_object_dicts where user can optimize parameters in the dependent_params_dict.	5 years ago
titusquah	9c61bb90ab	updated iterative_fitter.py to have more feedback	5 years ago
titusquah	f933a8bd81	updated iterative_fitter_monitor.py	5 years ago
titusquah	befb10e90e	add outputs folder to examples	5 years ago
titusquah	0d90e4a996	changed temp file to outputs/temp.xml	5 years ago
titusquah	af1780ec5a	flipped backslashes for package files	5 years ago
titusquah	5984ed5566	flipped backslashes for package files	5 years ago
titusquah	511472d2c4	removed 'r' when accessing package files	5 years ago
titusquah	18ba8dda20	updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled	5 years ago
titusquah	f4fbb11b8c	changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py	5 years ago
titusquah	cab58fda25	commented out skopt in optimizers	5 years ago
titusquah	159a5c8140	added example file to do iterative optimization	5 years ago
titusquah	b67b1a6b08	fixed setup file by changing LLEPE to llepe	5 years ago
titusquah	adbfd57931	updated to LLEPE	5 years ago
titusquah	97ca231afc	Edited parity plot to allow color to represent 3rd dimension. Still need to improve colorbar axis name.	5 years ago
titusquah	77e4cefd2c	Included package data in data/csvs and data/xmls. Note this only works for sdists. If bdist is needed, research "manifest.in" python setup files.	5 years ago
titusquah	a0e8bdb9fd	Added r-squared printout to parity plot. Fixed default optimizer to detect number of dimensions and update bounds to match.	5 years ago
titusquah	a8fd716937	Allow user to change optimizer and objective function. Also added r-squared evaluator. Changed temp file location to user temp folder. Added a prediction dictionary to access the values predicted by model.	5 years ago
titusquah	2bb9b7c24a	Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation	5 years ago
titusquah	52c8efc05e	Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation	5 years ago
titusquah	5dd4d37c02	Completed one composition parameter estimation	5 years ago
titusquah	ff5cab12a7	started project	5 years ago
titusquah	2cf080bf3c	started project	5 years ago
titusquah	ae6aa4291a	started project	5 years ago
titusquah	3c0ccc6b30	added idea xml and iml files	5 years ago

40 Commits (master)