titusquah
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0a9a7ffddc
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changed REEPS name to LLEPE, modified opt_dict to deal with more general xml properties,
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2020-07-14 09:03:00 -06:00 |
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titusquah
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77e4cefd2c
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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.
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2020-06-12 08:34:43 -06:00 |
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titusquah
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f07fb03b93
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Added docs and generalized to multiple species
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2020-06-12 08:24:51 -06:00 |
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titusquah
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a0e8bdb9fd
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Added r-squared printout to parity plot. Fixed default optimizer to detect number of dimensions and update bounds to match.
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2020-06-08 11:02:04 -06:00 |
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titusquah
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a8fd716937
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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.
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2020-06-05 14:20:59 -06:00 |
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titusquah
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2bb9b7c24a
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Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation
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2020-06-03 12:31:22 -06:00 |
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titusquah
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52c8efc05e
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Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation
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2020-06-02 14:38:25 -06:00 |
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titusquah
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ff5cab12a7
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started project
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2020-06-01 18:26:06 -06:00 |
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titusquah
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3c0ccc6b30
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added idea xml and iml files
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2020-05-29 16:10:41 -06:00 |
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titusquah
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c29be6afc6
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started project
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2020-05-29 16:05:38 -06:00 |
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titusquah
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d7e9c6fab6
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started project
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2020-05-29 15:57:29 -06:00 |
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