20 Commits

Author	SHA1	Message	Date
titusquah	e275b50e2c	Updated iterative_fitter.py	2020-07-16 07:04:46 -06:00
titusquah	fabec1e7ed	Updated iterative_fitter.py	2020-07-15 22:57:44 -06:00
titusquah	10da06937e	Updated iterative_fitter.py	2020-07-15 20:27:49 -06:00
titusquah	12723eed6b	Updated iterative_fitter.py	2020-07-15 20:25:27 -06:00
titusquah	1ad6d8e925	Added new feature to include custom_object_dicts where user can optimize parameters in the dependent_params_dict.	2020-07-15 16:37:03 -06:00
titusquah	0d90e4a996	changed temp file to outputs/temp.xml	2020-07-14 17:51:07 -06:00
titusquah	18ba8dda20	updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled	2020-07-14 17:38:53 -06:00
titusquah	159a5c8140	added example file to do iterative optimization	2020-07-14 17:02:29 -06:00
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	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	a0e8bdb9fd	Added r-squared printout to parity plot. Fixed default optimizer to detect number of dimensions and update bounds to match.	2020-06-08 11:02:04 -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	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	ff5cab12a7	started project	2020-06-01 18:26:06 -06:00
titusquah	3c0ccc6b30	added idea xml and iml files	2020-05-29 16:10:41 -06:00
titusquah	c29be6afc6	started project	2020-05-29 16:05:38 -06:00
titusquah	d7e9c6fab6	started project	2020-05-29 15:57:29 -06:00