asr.database.material_fingerprint¶

Contents

Summary ¶

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

asr.database.material_fingerprint.main()

Run this recipe through the CLI interface

$ asr run asr.database.material_fingerprint

or as a python module

$ python -m asr.database.material_fingerprint

Unique hash of atomic structure.

asr.database.material_fingerprint.main(atoms)[source]¶