asr.setup.displacements

Summary

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

• asr.setup.displacements.main()

Run this recipe through the CLI interface

$ asr run asr.setup.displacements

or as a python module

$ python -m asr.setup.displacements

Detailed description

Module for generating atomic structures with displaced atoms.

Steps

asr.setup.displacements

asr.setup.displacements.main(atoms, displacement)

Generate atomic displacements.

Generate atomic structures with displaced atoms.

Parameters

• atoms (ase.atoms.Atoms) –

• displacement (float) –

Return type

asr.core.results.ASRResult