1.2.0
The highlights for this release are:
- Orientation tracker, with this version of GEMDAT you can track the orientation of a group of atoms (e.g. tetrahedra) in your trajectory and plot them
- Haven ratio calculator
What's Changed
- Added some plotly plots by @v1kko in #278
- Rename all
displacement_per_site
todisplacement_per_atom
by @v1kko in #280 - Add orientations tracker by @tfamprikis in #220
- Implement Haven ratio by @stefsmeets in #283
- Add option to select MSD algorithm by @SCiarella in #291
- Improve Orientations API by @SCiarella in #293
Under the hood
- Refactor 3d plots module by @stefsmeets in #284
- Refactor Volume class to support multiple data types by @stefsmeets in #282
Bug fixes
Maintanance
- Update actions versions by @stefsmeets in #294
New Contributors
- @tfamprikis made their first contribution in #220
Full Changelog: 1.1.0...1.2.0