asr.dimensionality

Summary

This is the documentation for asr.dimensionality-recipe. This recipe is comprised of a single instruction, namely:

Run this recipe through the CLI interface

$ asr run asr.dimensionality

or as a python module

$ python -m asr.dimensionality

Steps

asr.dimensionality

asr.dimensionality.main(atoms)[source]

Make cluster and dimensionality analysis of the input structure.

Analyzes the primary dimensionality of the input structure and analyze clusters following Mahler, et. al. Physical Review Materials 3 (3), 034003.

Parameters

atoms (ase.atoms.Atoms) –

Return type

asr.core.results.ASRResult