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Quickstart

  • Overview
  • Pitfalls

Examples

  • Tetracubes (shape classification)
  • Moment of inertia (regression of equivariant properties)
  • MD17: Ethanol (force field construction)

Useful recipes and tricks

  • Changing the default behavior of E3x
  • Neighbor/index lists
  • Basis functions
  • Constructing Cartesian tensors

API reference

  • e3x
e3x
  • Search

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