Chemex

Latest version: v2024.2.16

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2024.02.16

What's Changed
* Update spin system in cpmg_13co_ap.py by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/203


**Full Changelog**: https://github.com/gbouvignies/ChemEx/compare/v2024.02.11...v2024.02.16

2024.02.11

What's Changed
* Increased minimum required Python version to 3.11.
* Cleaned the package dependencies
* Bump prettier from 3.2.4 to 3.2.5 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/197


**Full Changelog**: https://github.com/gbouvignies/ChemEx/compare/v2024.02.09...v2024.02.11

2024.02.09

What's Changed
* Bump follow-redirects from 1.15.3 to 1.15.4 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/188
* Bump prettier from 3.1.1 to 3.2.2 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/189
* Bump prettier from 3.2.2 to 3.2.4 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/190
* Bump docusaurus/preset-classic from 3.1.0 to 3.1.1 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/191
* Resolve Pydantic v2 Error with SpinSystem Integration by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/198
* Ensure UTF-8 encoding for all file write operations by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/199


**Full Changelog**: https://github.com/gbouvignies/ChemEx/compare/v2024.01.0...v2024.02.09

2024.01.0

What's Changed
* Add an option for per profile error estimation

Add the option "global_error" in the section "[data]" of the experiment
configuration file. When set to "True" the error is estimated using all
the profiles in the dataset. When set to "False" the error is estimated
on a per profile basis. This is defaulted to "True".

* Bump prettier from 3.1.0 to 3.1.1 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/182
* Bump actions/setup-python from 4 to 5 by dependabot in https://github.com/gbouvignies/ChemEx/pull/183
* Bump eslint from 8.55.0 to 8.56.0 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/184
* Bump prism-react-renderer from 2.3.0 to 2.3.1 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/185
* Bump clsx from 2.0.0 to 2.1.0 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/186


**Full Changelog**: https://github.com/gbouvignies/ChemEx/compare/v2023.12.0...v2024.01.0

2023.12.0

What's Changed
* New kinetic models, bug fixes and refactoring by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/176
* Update website to Docusaurus 3.0 by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/178
* Bump actions/setup-node from 3 to 4 by dependabot in https://github.com/gbouvignies/ChemEx/pull/179
* Bump actions/checkout from 3 to 4 by dependabot in https://github.com/gbouvignies/ChemEx/pull/169
* Bump clsx from 1.2.1 to 2.0.0 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/180


**Full Changelog**: https://github.com/gbouvignies/ChemEx/compare/2022.3.6...v2023.12.0

2022.3.6

What's Changed
* Fix bug in grid search
The parameters that are fitted when evaluating a grid point were not
updated. In particular, after the grid search was done, the parameters
to the best grid point were not returned.
* Bump rich from 13.3.4 to 13.3.5 by dependabot in https://github.com/gbouvignies/ChemEx/pull/136
* Bump pre-commit from 3.2.2 to 3.3.1 by dependabot in https://github.com/gbouvignies/ChemEx/pull/137
* Bump lmfit from 1.2.0 to 1.2.1 by dependabot in https://github.com/gbouvignies/ChemEx/pull/138
* Bump pre-commit from 3.3.1 to 3.3.2 by dependabot in https://github.com/gbouvignies/ChemEx/pull/141
* Bump eslint from 8.39.0 to 8.41.0 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/142
* Bump cachetools from 5.3.0 to 5.3.1 by dependabot in https://github.com/gbouvignies/ChemEx/pull/143
* Bump pydantic from 1.10.7 to 1.10.8 by dependabot in https://github.com/gbouvignies/ChemEx/pull/144
* Bump docusaurus/core from 2.4.0 to 2.4.1 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/145
* Bump rich from 13.3.5 to 13.4.1 by dependabot in https://github.com/gbouvignies/ChemEx/pull/146
* Bump rapidfuzz from 3.0.0 to 3.1.0 by dependabot in https://github.com/gbouvignies/ChemEx/pull/147
* Bump pydantic from 1.10.8 to 1.10.9 by dependabot in https://github.com/gbouvignies/ChemEx/pull/148
* Bump rich from 13.4.1 to 13.4.2 by dependabot in https://github.com/gbouvignies/ChemEx/pull/149
* Bump rapidfuzz from 3.1.0 to 3.1.1 by dependabot in https://github.com/gbouvignies/ChemEx/pull/150
* Bump docusaurus/eslint-plugin from 2.4.0 to 2.4.1 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/152
* Bump pre-commit from 3.3.2 to 3.3.3 by dependabot in https://github.com/gbouvignies/ChemEx/pull/153
* Bump numpy from 1.24.3 to 1.25.0 by dependabot in https://github.com/gbouvignies/ChemEx/pull/154
* Move to ruff by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/158
* Bump eslint from 8.41.0 to 8.44.0 in /website by dependabot in https://github.com/gbouvignies/ChemEx/pull/159
* Bump to pydantic v2 by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/162
* Refactor: Migrate from Poetry to PDM by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/163
* Refactor for pydantic v2 and better typing by gbouvignies in https://github.com/gbouvignies/ChemEx/pull/165


**Full Changelog**: https://github.com/gbouvignies/ChemEx/compare/v2022.3.5...2022.3.6

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