e3x

stable

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

e3x
e3x.config
Edit on GitHub

e3x.config

Global configuration options for e3x.

Classes

Static class for storing global configuration options for e3x.

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