asr.setup.strains

Summary

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

Run this recipe through the CLI interface

$ asr run asr.setup.strains

or as a python module

$ python -m asr.setup.strains

Detailed description

Generate strained atomic structures.

Steps

asr.setup.strains

asr.setup.strains.main(atoms, strain_percent=1, i=0, j=0)[source]
Parameters

  • atoms (ase.atoms.Atoms) –

  • strain_percent (float) –

  • i (int) –

  • j (int) –

Return type

ase.atoms.Atoms