13 Commits

Author	SHA1	Message	Date
titusquah	adbfd57931	updated to LLEPE	2020-07-14 09:09:51 -06:00
titusquah	0a9a7ffddc	changed REEPS name to LLEPE, modified opt_dict to deal with more general xml properties,	2020-07-14 09:03:00 -06:00
titusquah	97ca231afc	Edited parity plot to allow color to represent 3rd dimension. Still need to improve colorbar axis name.	2020-06-16 09:30:34 -06:00
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.	2020-06-12 08:34:43 -06:00
titusquah	f07fb03b93	Added docs and generalized to multiple species	2020-06-12 08:24:51 -06:00
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.	2020-06-05 14:20:59 -06:00
titusquah	bc568a485b	generalized optimization to modify different species and thermo properties	2020-06-03 13:25:27 -06:00
titusquah	2bb9b7c24a	Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation	2020-06-03 12:31:22 -06:00
titusquah	52c8efc05e	Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation	2020-06-02 14:38:25 -06:00
titusquah	5dd4d37c02	Completed one composition parameter estimation	2020-06-02 11:34:13 -06:00
titusquah	ff5cab12a7	started project	2020-06-01 18:26:06 -06:00
titusquah	ae6aa4291a	started project	2020-06-01 15:39:52 -06:00
titusquah	3c0ccc6b30	added idea xml and iml files	2020-05-29 16:10:41 -06:00