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2022-02-01

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@mariogeiger mariogeiger released this 01 Feb 07:01
· 324 commits to main since this release
import jax.numpy as jnp
import e3nn_jax as e3nn
coeffs = e3nn.IrrepsArray("0e + 1o", jnp.array([1, 2, 0, 0.0]))
signal = e3nn.to_s2grid(coeffs, 50, 69, quadrature="gausslegendre")

import plotly.graph_objects as go
go.Figure([go.Surface(signal.plotly_surface())])

Screenshot 2023-02-01 at 2 00 29 AM

Added

  • e3nn.SphericalSignal class to represent signals on the sphere
  • Signal on the Sphere section in the documentation
  • e3nn.Irreps.D_from_log_coordinates
  • rotation_angle_from_* functions
  • e3nn.to_s2point function

Changed

  • Wigner D matrices are computed from the log coordinates which makes 1 instead of 3 calls to expm.
  • [BREAKING] e3nn.util.assert_output_dtype renamed to e3nn.util.assert_output_dtype_matches_input_dtype
  • [BREAKING] Update experimental.point_convolution to use the last changes.
  • [BREAKING] changed the e3nn.to_s2grid and e3nn.from_s2grid signature and default normalization.

Removed

  • [BREAKING] All the haiku modules from the main module. They are now in the e3nn.haiku submodule.
  • [BREAKING] e3nn.wigner_D in favor of e3nn.Irrep.D_from_*

Fixed

  • Removed jax.jit decorator to Irreps.D_from_* that was causing a bug.