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Releases: lab-cosmo/sphericart

v0.5.0

03 Sep 12:16
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  • All APIs now offer spherical harmonics and solid harmonics (previously normalized=True/False respectively)
  • New CUDA C++ and JAX APIs
  • The Pytorch API now provides SphericalHarmonics and SolidHarmonics as subclasses of torch.nn.Module
  • The Pytorch API warns (once) about second derivatives
  • Solved bug when the spherical harmonics are called with zero points to calculate (all APIs)
  • Various documentation improvements

v0.4.0-beta1

23 Jan 16:39
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v0.4.0-beta1 Pre-release
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Release of SpheriCart for Julia v0.0.3

13 Jan 06:12
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This is the first public release of SpheriCart.jl, the Julia version of sphericart

Version 0.3.0

26 Apr 12:06
d79910f
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Sphericart is a library for the efficient calculation of the spherical harmonics and their derivatives in Cartesian coordinates.

This release brings a lot of improvements:

  • the CPU version of the code is now written in C++ instead of C, the main API entry point is the SphericalHarmonics<T> class
  • the code is integrated with PyTorch and TorchScript in the sphericart-torch package, allowing backward propagation of gradients
  • the sphericart-torch package also includes a CUDA version, computing spherical harmonics on GPUs
  • the sphericart-torch package allows to patch e3nn, using sphericart implementation to compute spherical harmonics in e3nn-based models