asr.setup.reduce

Summary

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

Run this recipe through the CLI interface

$ asr run asr.setup.reduce

or as a python module

$ python -m asr.setup.reduce

Steps

asr.setup.reduce

asr.setup.reduce.main(atoms)[source]

Reduce supercell and perform niggli reduction if possible.

Parameters

atoms (ase.atoms.Atoms) –

Return type

ase.atoms.Atoms