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LLEPE
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60 Commits (86622505ab1acf6620ee2e7146cd7543b306bb88)
 

Author SHA1 Message Date
titusquah 86622505ab Update requirements.txt
5 years ago
titusquah 43e1496642 Update conf.py
5 years ago
titusquah 4a538d7708 renamed for rtd
5 years ago
titusquah 687424bcdf rename for rtd
5 years ago
titusquah 578aeb6f03 moved files for readthedocs
5 years ago
titusquah 71ff751a65 added "master_doc = 'index'" to conf.py for readthedocs
5 years ago
titusquah b833703875
Merge pull request #1 from titusquah/titus_changes
5 years ago
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 90b086b6fe deleted redundant files
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 dedf9d7acb added outputs folder to examples
5 years ago
titusquah befb10e90e add outputs folder to examples
5 years ago
titusquah 2b5df94eb6 changed temp file to outputs/temp.xml
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 ac8067baf4 fixed parity plot bug for unlabeled, uncolored data
5 years ago
Tquah 1facd9bb42 updated getting started file
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 0a9a7ffddc changed REEPS name to LLEPE, modified opt_dict to deal with more general xml properties,
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 f07fb03b93 Added docs and generalized to multiple species
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 07d6a0ac3c added docs
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 bc568a485b generalized optimization to modify different species and thermo properties
5 years ago
titusquah 2bb9b7c24a Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation
5 years ago