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LLEPE
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  • 4d06fd52ea
         Merge 48e4fd4149 into 010688d210 #3 dependabot[bot] 2023-07-06 22:01:05 +0000
  • 48e4fd4149
         Bump scipy from 1.4.1 to 1.10.0 #3 dependabot/pip/scipy-1.10.0 dependabot[bot] 2023-07-06 22:01:03 +0000
  • 29466012d8
         Merge fd9d56bc38 into 010688d210 #2 dependabot[bot] 2022-06-22 02:45:49 +0000
  • fd9d56bc38
         Bump numpy from 1.15.4 to 1.22.0 #2 dependabot/pip/numpy-1.22.0 dependabot[bot] 2022-06-22 02:45:47 +0000
  • 010688d210 Update index.rst master titusquah 2021-04-07 13:13:18 -0600
  • 74d50db07c Update requirements.txt titusquah 2021-04-07 13:09:33 -0600
  • d0b6fe2109 Update requirements.txt titusquah 2021-04-07 13:07:46 -0600
  • 11f8eef599 Update conf.py titusquah 2021-04-07 13:05:41 -0600
  • 6a3308a71a Update conf.py titusquah 2021-04-07 12:21:29 -0600
  • 195c41d442 commit that fixes readthedocs titusquah 2021-04-07 12:08:47 -0600
  • 2da3cebcd3 updated _build and made extra make1 bat file titusquah 2021-04-07 11:54:29 -0600
  • 93811ee254 updated _source titusquah 2021-04-07 11:43:17 -0600
  • 7a4a7278d9 Revert "rename for rtd" titusquah 2021-04-07 11:31:53 -0600
  • 8b5ab69ea9 Revert "deleted _build" titusquah 2021-04-07 11:31:39 -0600
  • 6389ba6276 deleted _build titusquah 2021-04-07 11:28:27 -0600
  • 5ce76bb867 rename for rtd titusquah 2021-04-07 11:27:10 -0600
  • e66989a4cd Update llepe.py titusquah 2021-03-24 22:42:24 -0600
  • a9a13dfbf5 Merge branch 'master' of https://github.com/ANL-CEEESA/LLEPE titusquah 2021-03-24 16:49:09 -0600
  • ea2b192e08 Update llepe.py titusquah 2021-03-24 16:48:56 -0600
  • 9fb8776201
         Update about.md titusquah 2021-03-24 16:38:19 -0600
  • 78fd5b17bf
         Update README.md titusquah 2021-03-24 16:36:41 -0600
  • ccbd747ac3
         Update README.md titusquah 2021-03-24 16:36:02 -0600
  • ac4f480fd6 Added license and updated docs titusquah 2021-03-24 16:34:41 -0600
  • 70706c05c8
         Create LICENSE titusquah 2021-03-24 09:44:22 -0600
  • 630335574a
         Update README.md titusquah 2020-10-08 13:20:21 -0600
  • 90321fbcab Updated documentation. Also changed authors and owner to ANL titusquah 2020-10-07 17:01:08 -0600
  • 003f7e9918 Update conf.py titusquah 2020-10-07 16:45:57 -0600
  • 0e63e5059f Update install.rst titusquah 2020-09-10 14:34:15 -0600
  • e188965a5b Update install.rst titusquah 2020-09-10 14:31:01 -0600
  • 9f34648a37 Update install.rst titusquah 2020-09-10 14:17:42 -0600
  • 4734115f64 Update install.rst titusquah 2020-09-10 14:16:36 -0600
  • cf2e44462e Updated Docs titusquah 2020-09-10 12:59:52 -0600
  • 5feef0a6ee Update requirements.txt titusquah 2020-09-10 12:49:11 -0600
  • ce847e73c5 update to account for autodocs titusquah 2020-09-10 12:47:17 -0600
  • 5eb0015a49 Update requirements.txt titusquah 2020-09-10 12:35:10 -0600
  • 86622505ab Update requirements.txt titusquah 2020-09-09 13:23:31 -0600
  • 43e1496642 Update conf.py titusquah 2020-09-09 13:18:13 -0600
  • 4a538d7708 renamed for rtd titusquah 2020-09-09 13:11:04 -0600
  • 687424bcdf rename for rtd titusquah 2020-09-09 13:10:35 -0600
  • 578aeb6f03 moved files for readthedocs titusquah 2020-09-09 12:58:56 -0600
  • 71ff751a65 added "master_doc = 'index'" to conf.py for readthedocs titusquah 2020-09-09 12:53:40 -0600
  • b833703875
         Merge pull request #1 from titusquah/titus_changes titusquah 2020-09-09 12:47:49 -0600
  • aef26de2e2 Fixed README.md #1 titus_changes titusquah 2020-07-31 16:47:15 -0600
  • b5b62a51dc Updated examples to include basic, filtered, and Pitzer fit methods. titusquah 2020-07-31 16:39:54 -0600
  • 16382b0145 Changed iterative fit to only fit to multicomponent data. titusquah 2020-07-31 10:05:35 -0600
  • 9fef8b78fb Changed iterative fit to only fit to multicomponent data. titusquah 2020-07-27 21:12:27 -0600
  • af71a2c208 Updated documentation titusquah 2020-07-27 14:57:22 -0600
  • 90b086b6fe deleted redundant files titusquah 2020-07-17 12:06:40 -0600
  • 3571698900 Updated iterative_fitter.py to calculate error for all species. Added new test with mean squared error. titusquah 2020-07-17 12:05:25 -0600
  • 6a4aad4266 Updated iterative_fitter.py to calculate error for all species. Added new test with mean squared error. titusquah 2020-07-17 12:01:04 -0600
  • 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 titusquah 2020-07-16 23:05:27 -0600
  • 762f0764a5 Updated iterative_fitter.py titusquah 2020-07-16 09:31:50 -0600
  • 70a71b62ae Updated iterative_fitter.py titusquah 2020-07-16 09:31:32 -0600
  • 23f4a466eb Updated iterative_fitter.py titusquah 2020-07-16 07:13:02 -0600
  • e275b50e2c Updated iterative_fitter.py titusquah 2020-07-16 07:04:46 -0600
  • fabec1e7ed Updated iterative_fitter.py titusquah 2020-07-15 22:57:44 -0600
  • 10da06937e Updated iterative_fitter.py titusquah 2020-07-15 20:27:49 -0600
  • 12723eed6b Updated iterative_fitter.py titusquah 2020-07-15 20:25:27 -0600
  • 1ad6d8e925 Added new feature to include custom_object_dicts where user can optimize parameters in the dependent_params_dict. titusquah 2020-07-15 16:37:03 -0600
  • 9c61bb90ab updated iterative_fitter.py to have more feedback titusquah 2020-07-14 22:06:00 -0600
  • f933a8bd81 updated iterative_fitter_monitor.py titusquah 2020-07-14 21:58:46 -0600
  • dedf9d7acb added outputs folder to examples titusquah 2020-07-14 18:18:55 -0600
  • befb10e90e add outputs folder to examples titusquah 2020-07-14 18:14:34 -0600
  • 2b5df94eb6 changed temp file to outputs/temp.xml titusquah 2020-07-14 17:52:26 -0600
  • 0d90e4a996 changed temp file to outputs/temp.xml titusquah 2020-07-14 17:51:07 -0600
  • af1780ec5a flipped backslashes for package files titusquah 2020-07-14 17:47:33 -0600
  • 5984ed5566 flipped backslashes for package files titusquah 2020-07-14 17:46:56 -0600
  • 511472d2c4 removed 'r' when accessing package files titusquah 2020-07-14 17:43:54 -0600
  • 18ba8dda20 updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled titusquah 2020-07-14 17:38:53 -0600
  • f4fbb11b8c changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py titusquah 2020-07-14 17:20:04 -0600
  • cab58fda25 commented out skopt in optimizers titusquah 2020-07-14 17:16:48 -0600
  • 159a5c8140 added example file to do iterative optimization titusquah 2020-07-14 17:02:29 -0600
  • ac8067baf4 fixed parity plot bug for unlabeled, uncolored data titusquah 2020-07-14 12:48:41 -0600
  • 1facd9bb42 updated getting started file Tquah 2020-07-14 11:30:43 -0500
  • b67b1a6b08 fixed setup file by changing LLEPE to llepe titusquah 2020-07-14 09:15:49 -0600
  • adbfd57931 updated to LLEPE titusquah 2020-07-14 09:09:51 -0600
  • 0a9a7ffddc changed REEPS name to LLEPE, modified opt_dict to deal with more general xml properties, titusquah 2020-07-14 09:03:00 -0600
  • 97ca231afc Edited parity plot to allow color to represent 3rd dimension. Still need to improve colorbar axis name. titusquah 2020-06-16 09:27:19 -0600
  • 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. titusquah 2020-06-12 08:34:43 -0600
  • f07fb03b93 Added docs and generalized to multiple species titusquah 2020-06-12 08:24:51 -0600
  • a0e8bdb9fd Added r-squared printout to parity plot. Fixed default optimizer to detect number of dimensions and update bounds to match. titusquah 2020-06-08 11:02:04 -0600
  • 07d6a0ac3c added docs titusquah 2020-06-05 14:22:19 -0600
  • 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. titusquah 2020-06-05 14:20:59 -0600
  • bc568a485b generalized optimization to modify different species and thermo properties titusquah 2020-06-03 13:25:27 -0600
  • 2bb9b7c24a Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation titusquah 2020-06-03 12:31:22 -0600
  • 52c8efc05e Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation titusquah 2020-06-02 14:38:25 -0600
  • 5dd4d37c02 Completed one composition parameter estimation titusquah 2020-06-02 11:34:13 -0600
  • ff5cab12a7 started project titusquah 2020-06-01 18:26:06 -0600
  • 7bfeaae683 commit 2 titusquah 2020-06-01 15:48:03 -0600
  • 2cf080bf3c started project titusquah 2020-06-01 15:41:00 -0600
  • ae6aa4291a started project titusquah 2020-06-01 15:39:52 -0600
  • 3c0ccc6b30 added idea xml and iml files titusquah 2020-05-29 16:10:41 -0600
  • c29be6afc6 started project titusquah 2020-05-29 16:05:38 -0600
  • d7e9c6fab6 started project titusquah 2020-05-29 15:57:29 -0600
  • b6476b49d0 Initial commit Chukwunwike Iloeje 2020-05-27 14:58:38 -0500