We would like to have a public functionality to rotate equivariant tensors in a TensorMap format. We already have a basic functionality for testing purposes in the CG submodule but the intention would be to make this public.
Something like (as suggested by @Luthaf):
class WignerDReal:
def __init__(self, max_angular):
...
def rotation(self, angles) -> RotationMatrix:
...
class RotationMatrix:
def __init__(self, ...):
...
def rotate_tensor(self, tensor: TensorMap) -> TensorMap:
...
def rotate_block(self, o3_lamda: int, o3_sigma: int, block: TensorBlock) -> TensorBlock:
...
In the future, the WignerDReal class will be abstracted to the wigners package and/or custom implementation for lower max_angular could be written.
Tagging people involved: @jwa7 , @Luthaf
We would like to have a public functionality to rotate equivariant tensors in a TensorMap format. We already have a basic functionality for testing purposes in the CG submodule but the intention would be to make this public.
Something like (as suggested by @Luthaf):
In the future, the
WignerDRealclass will be abstracted to thewignerspackage and/or custom implementation for lowermax_angularcould be written.Tagging people involved: @jwa7 , @Luthaf