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Releases: gbouvignies/ChemEx

v2024.09.25

25 Sep 14:15
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Full Changelog: v2024.05.3...v2024.09.25

v2024.07.31-alpha.1

31 Jul 10:02
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v2024.07.31-alpha.1 Pre-release
Pre-release

What's Changed

Features

  • Add new R1rho experiments (WIP)

    • Implement two R1rho calculation methods:
      1. wip.relaxation_15n_r1rho_eig: Uses smallest real eigenvalue
      2. wip.relaxation_15n_r1rho: Simulates magnetization tilt and spin lock
    • Place new experiments in experiments.catalog.wip
    • Update experiment loader to register all plugins

    Note: Work in progress, further refinements expected

Improvements

Dependencies

Full Changelog: v2024.05.3...v2024.07.31-alpha.1

v2024.05.3

13 Jun 20:00
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  • Fitting errors in Chemex v2024.05.2 with MC and BS syntaxes (Error #2) by @gbouvignies in #245

Full Changelog: v2024.05.2...v2024.05.3

v2024.05.2

29 May 16:28
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  • Freezing observed when changing the parameter sw in the module pick_cest by @gbouvignies in #237

Full Changelog: v2024.05.1...v2024.05.2

v2024.05.1

29 May 10:47
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Full Changelog: v2024.05.0...v2024.05.1

v2024.5.0

28 May 21:50
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Full Changelog: v2024.02.16...v2024.05.0

v2024.02.16

16 Feb 17:56
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Full Changelog: v2024.02.11...v2024.02.16

v2024.02.11

11 Feb 08:45
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  • 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 #197

Full Changelog: v2024.02.09...v2024.02.11

v2024.02.09

09 Feb 16:06
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Full Changelog: v2024.01.0...v2024.02.09

v2024.01.0

06 Jan 22:46
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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 #182

  • Bump actions/setup-python from 4 to 5 by @dependabot in #183

  • Bump eslint from 8.55.0 to 8.56.0 in /website by @dependabot in #184

  • Bump prism-react-renderer from 2.3.0 to 2.3.1 in /website by @dependabot in #185

  • Bump clsx from 2.0.0 to 2.1.0 in /website by @dependabot in #186

Full Changelog: v2023.12.0...v2024.01.0