Releases: gbouvignies/ChemEx
Releases · gbouvignies/ChemEx
v2022.0.1
What's Changed
- BUG: wrong XI ratios in nmr/constants.py by @gbouvignies in #67
- Add a clean way to stop grid searches by @gbouvignies in #68
- Bump version to v2022.0.1 by @gbouvignies in #69
Full Changelog: v2022.0.0...v2022.0.1
v2022.0.0
What's Changed
- Add many new CPMG and CEST experiments and examples
- Add a built-in grid search algorithm
- Add a simulation module
- Add a graphical module to help pick CEST dips
- Update the Monte Carlo and bootstrap simulations and their outputs
- Refactor the codebase by @gbouvignies in #56
- Add the first version of the website (with documentation) by @gbouvignies in #65
Full Changelog: 2018.10.3...v2022.0.0
Note: If you come from v2018 or earlier, the formatting and content of some input files have changed. Check the new website for the updated documentation.