pymatgen.io.jarvis module
This module provides conversion between the JARVIS
Atoms object and pymatgen Structure objects.
-
class
JarvisAtomsAdaptor
[source]
Bases: object
Adaptor serves as a bridge between JARVIS Atoms and pymatgen objects.
-
static
get_atoms
(structure)[source]
Returns JARVIS Atoms object from pymatgen structure.
- Parameters
structure – pymatgen.core.structure.Structure
- Returns
JARVIS Atoms object
-
static
get_structure
(atoms)[source]
Returns pymatgen structure from JARVIS Atoms.
- Parameters
atoms – JARVIS Atoms object
- Returns
Equivalent pymatgen.core.structure.Structure