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Version 0.9.0-alpha6 (12 Sep 2023)

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@github-actions github-actions released this 12 Sep 20:54
· 52 commits to master since this release
v0.9.0-alpha6
0c5cac7

This is a test version of EasyDiffraction with improved GUI and overall performance. This version temporarily does not use the EasyScience framework, contains only CrysPy as calculation engine and uses only Lmfit for minimization.

New Features

  • Implemented loading of two-column data from *.xy files.
  • Comments with # are now possible in data file headers.

Bug Fixes

  • U_iso are now automatically converted to B_iso (temporary fix) when loading a phase from CIF.
  • Type symbols with oxidation state, e.g. O2-, are now partially supported.
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