pymatgen.io.jarvis module

This module provides conversion between the JARVIS Atoms object and pymatgen Structure objects.

class JarvisAtomsAdaptor

Bases: object

Adaptor serves as a bridge between JARVIS Atoms and pymatgen objects.

static get_atoms(structure)

Returns JARVIS Atoms object from pymatgen structure.

Parameters:

structure – pymatgen.core.structure.Structure

Returns:

JARVIS Atoms object

static get_structure(atoms)

Returns pymatgen structure from JARVIS Atoms.

Parameters:

atoms – JARVIS Atoms object

Returns:

Equivalent pymatgen.core.structure.Structure