pyiron_atomistics.atomistics.structure.pyscal.pyiron_to_pyscal_system

pyiron_atomistics.atomistics.structure.pyscal.pyiron_to_pyscal_system(structure)

Converts atoms to ase atoms and than to a pyscal system. Also adds the pyscal publication.

Parameters:

structure (pyiron atoms) – Structure to convert.

Returns:

See the pyscal documentation.

Return type:

Pyscal system