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ANL-CEEESA/LLEPE
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mirror of https://github.com/ANL-CEEESA/LLEPE.git synced 2025-12-06 01:48:53 -06:00
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90 Commits 4 Branches 0 Tags
74d50db07ca7dc7335036f1d2284e5595d838eba
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59 Commits

Author SHA1 Message Date
titusquah
159a5c8140 added example file to do iterative optimization 2020-07-14 17:02:29 -06:00
titusquah
ac8067baf4 fixed parity plot bug for unlabeled, uncolored data 2020-07-14 12:48:41 -06:00
Tquah
1facd9bb42 updated getting started file 2020-07-14 11:30:43 -05:00
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
07d6a0ac3c added docs 2020-06-05 14:22:19 -06:00
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