Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[Unreleased]

Added

o3.TensorProduct: is jit scriptable
o3.TensorProduct: also broadcast the weight argument

[0.2.3] - 2021-02-23

Added

Add argument basis into math.soft_one_hot_linspace that can take values gaussian, cosine and fourier
io.SphericalTensor.sum_of_diracs
Optional arguments function(..., device=None, dtype=None) for many functions
e3nn.nn.models.gate_points_2102 using node attributes along the length embedding to feed the radial network
Irreps.slices()
Module Extract (and ExtractIr) to extract subsets of irreps tensors
Recursive TorchScript compiler e3nn.util.jit
TorchScript support for TensorProduct and subclasses, NormActivation, Gate, FullyConnectedNet, and gate_points_2101.Network

Changed

in o3.TensorProduct.instructions: renamed weight_shape in path_shape and is now set even if has_weight is False
o3.TensorProduct weights are now flattened tensors
rename io.SphericalTensor.from_geometry_adjusted into io.SphericalTensor.with_peaks_at
in ReducedTensorProducts, ElementwiseTensorProduct and FullTensorProduct: rename irreps_out argument into set_ir_out to not confuse it with o3.Irreps

Removed

io.SphericalTensor.from_geometry_global_rescale
e3nn.math.reduce.reduce_tensor in favor of e3nn.o3.ReducedTensorProducts
swish, use torch.nn.functional.silu instead
"cartesian_vectors" for equivariance testing — since the 0.2.2 Euler angle convention change, L=1 irreps are equivalent

Fixed

io.SphericalTensor.from_samples_on_s2 manage batch dimension
Modules that generate code now clean up their temporary files
NormActivation now works on GPU

[0.2.2] - 2021-02-09

Changed

Euler angle convention from ZYZ to YXY
TensorProduct.weight_shapes content put into TensorProduct.instructions

Added

Better TorchScript support