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Support center atom selection in SphericalExpansion

Status: Open.

#29 In lab-cosmo/torch-spex;

· sirmarcel opened on Mar 30, 2026

Add GTO (Gaussian Type Orbital) radial basis

Status: Open.

#28 In lab-cosmo/torch-spex;

· sirmarcel opened on Mar 30, 2026

SphericalExpansion produces NaN for self-pairs (zero-length displacement vectors)

Status: Open.

#27 In lab-cosmo/torch-spex;

· sirmarcel opened on Mar 30, 2026

Update licensing information

Status: Open.

#25 In lab-cosmo/torch-spex;

· sirmarcel opened on Oct 14, 2025

Polish for next point release

Status: Open.

#21 In lab-cosmo/torch-spex;

· sirmarcel opened on Mar 27, 2025

Add radial embedding: Chebyshev polynomials

Status: Open.

#9 In lab-cosmo/torch-spex;

· sirmarcel opened on Feb 3, 2025

Add radial embedding: Gaussians

Status: Open.

#8 In lab-cosmo/torch-spex;

· sirmarcel opened on Feb 3, 2025

Internal usability

Status: Open.

#5 In lab-cosmo/torch-spex;

· sirmarcel opened on Oct 10, 2024