2022-08-03

Changed

• breaking change rename IrrepsData into IrrepsArray
• breaking change IrrepsArray.shape is now equal to contiguous.shape (instead of contiguous.shape[:-1])
• breaking change IrrepsArray * array requires array.shape[-1] to be 1 or array to be a scalar
• breaking change IrrepsArray.contiguous is renamed in IrrepsArray.array
• breaking change IrrepsArray.new is renamed in IrrepsArray.from_any
• spherical_harmonics normalization is now set to component like everything else.

Removed

• breaking change IrrepsArray.from_contiguous is removed. Use IrrepsArray(irreps, array) instead.

Added

• add e3nn.config to set global defaults parameters
• __getindex__ to IrrepsData
• gradient_normalization argument that can be element or path
• path_normalization can be a number between 0 and 1
• add nearest interpolation for zoom, default is linear
• implement custom_jvp for spherical harmonics