1.0.x
Installation
Tutorials
Basic concepts
Descriptors
Coulomb Matrix
Sine matrix
Ewald sum matrix
Atom-centered Symmetry Functions
Smooth Overlap of Atomic Positions
Many-body Tensor Representation
Local Many-body Tensor Representation
Derivatives
Sparse output
Machine learning
Similarity analysis
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Descriptors
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Descriptors
ΒΆ
Coulomb Matrix
Sine matrix
Ewald sum matrix
Atom-centered Symmetry Functions
Smooth Overlap of Atomic Positions
Many-body Tensor Representation
Local Many-body Tensor Representation
Versions
v: 1.0.x
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