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ANL-CEEESA
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LLEPE
mirror of https://github.com/ANL-CEEESA/LLEPE
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17 Commits
4 Branches
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7.1 MiB
dependabot/pip/scipy-1.10.0
dependabot/pip/numpy-1.22.0
master
titus_changes
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10 Commits (77e4cefd2cc88234f1b94c25caa14f9173a9de17)

Author SHA1 Message Date
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 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 ff5cab12a7 started project
5 years ago
titusquah 3c0ccc6b30 added idea xml and iml files
5 years ago
titusquah c29be6afc6 started project
5 years ago
titusquah d7e9c6fab6 started project
5 years ago
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