Paddy Harrison
Paddy Harrison
I also have this issue on my Intel MacBook Pro 16".
@pc494 great idea to make a separate thread for this. > Two options jump out: > a1. Follow [4], x east, y south, z into page. > a2. Stick with...
> It seems we are broadly in agreement on the "passive" convention, in which a rotation R describes the transformation that brings the crystal coordinates into coincidence with the lab...
Looks like `sklearn` needs to be installed when using the action: https://github.com/pyxem/orix/runs/6346988629?check_suite_focus=true#step:6:1926 ~~I will add this to the action and run again.~~ EDIT I think we need to add the...
We wouldn't expect this to be consistent, but it looks like we can add the `tag` `nbval-ignore-output` to the code cell to stop `nbval` producing the error whilst running the...
`AB` being matrix multiplication makes the most sense from a mathematical perspective, but not from a NumPy perspective, and I think users would expect agreement with NumPy when using orix....
Just wanted to add a comment here as I have also been trying both libraries. > Importing of atomic structures from all kinds of formats like CIF is also easy...
> Perhaps to get a orix.crystal_map.Phase instance (like Phase.from_ase_atoms() or Phase.from_diffpy_structure()), but not beyond that, I believe. We use diffpy.structure for lattice operations in orix at the moment, and I...
After @hakonanes implemented #322 it looks like the realigned crystal axes are consistent with `ase`. For reference: ```python from diffpy.structure import loadStructure from orix.crystal_map import Phase from ase import io...
If we go for #289 the 'numpy-quaternion' package comes with various mean metrics which we could look into.