pyxem/diffsims: diffsims 0.3.0
Creators
- 1. University of Cambridge
- 2. iwoca
- 3. Univesity of Cambridge, Department of Materials Science and Metallurgy
- 4. University of Leeds
- 5. Netherlands eScience Center
- 6. Norwegian University of Science and Technology
- 7. Department of Materials Science and Metallurgy, University of Cambridge
- 8. University of Manchester/SuperSTEM Laboratory
- 9. Luminovo.ai
Description
diffsims is an open-source Python library for diffraction simulations. This minor release provides some new features and internal improvements. The code remains in active development and updating to this version may break existing code, despite our efforts to make it clear when diffsims changes in a "breaking" fashion. See the list of closed PR's and issues avaliable here for details.
OverviewA range of internal changes have been made that improve speed, accuracy and readability. These most notably effect the generation of rotation list (which now makes use of the package orix) and the organisation of "geometric" (as opposed to "atomic") kinematical spot pattern simulations.
Breaking changesAlmost all functionality that has been touched in this release may have changed incompatibly with the previous minor version.
New Features- Kinematical scaling functions can now be specified by the user (#118)
- Simulation code that previously lived in pyxem has been migrated here (#101)
- A new class,
ReciprocalLatticePoint
for storing a crystal structure has been implemented (#111)
- Rotation list grids have been substantially improved by making use of orix (#104 and #115)
- Multiple bugfixes for
ProfileSimulation
and associated methods (#102 and #119)
- The credits now accurately reflect the contribution of @robtovey (#113)
Files
pyxem/diffsims-v0.3.0.zip
Files
(174.0 kB)
Name | Size | Download all |
---|---|---|
md5:590b2668ef48c648a2f2c87603bc0be3
|
174.0 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/pyxem/diffsims/tree/v0.3.0 (URL)