emmet.core.similarity

Define metrics of similarity between structures.

Functions

vector_difference_matrix

Construct a symmetric matrix of vector differences.

Classes

CrystalNNSimilarity

Rank the similarity between structures using CrystalNN.

M3GNetSimilarity

Obtain structural similarity using an M3GNet formation energy model.

SimilarityDoc

Model for a document containing structure similarity data

SimilarityEntry

Find similar materials to a specified material based on crystal geometry.

SimilarityMethod

Indicate which method was used to score similarity.

SimilarityScorer

Mixin for ranking the similarity between structures.

TYPE_CHECKING

bool(x) -> bool

matgl