pyiron_atomistics.atomistics.structure.atoms.ase_to_pyiron

Contents

pyiron_atomistics.atomistics.structure.atoms.ase_to_pyiron#

pyiron_atomistics.atomistics.structure.atoms.ase_to_pyiron(ase_obj)[source]#

Convert an ase.atoms.Atoms structure object to its equivalent pyiron structure

Parameters:

ase_obj (ase.atoms.Atoms) – The ase atoms instance to convert

Returns:

The equivalent pyiron structure

Return type:

pyiron.atomistics.structure.atoms.Atoms